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2-[1,3-dimethyl-2,4-bis(oxidanylidene)-6-[1,3,4-trimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-6H-pyrido[3,4-d]pyrimidin-7-yl]ethanenitrile

View entire compound with spectra: 1 MS (GC)

2-[1,3-dimethyl-2,4-bis(oxidanylidene)-6-[1,3,4-trimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-6H-pyrido[3,4-d]pyrimidin-7-yl]ethanenitrile
SpectraBase Compound ID Bu42LstXeMQ
InChI InChI=1S/C18H20N6O4/c1-10-14(16(26)23(5)17(27)20(10)2)12-8-11-13(9-24(12)7-6-19)21(3)18(28)22(4)15(11)25/h8-9,12H,7H2,1-5H3
InChIKey CXKOCSCYMBIBNQ-UHFFFAOYSA-N
Mol Weight 384.4 g/mol
Molecular Formula C18H20N6O4
Exact Mass 384.154603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ILosTJHDH48
Name 2-[1,3-dimethyl-2,4-bis(oxidanylidene)-6-[1,3,4-trimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-6H-pyrido[3,4-d]pyrimidin-7-yl]ethanenitrile
CAS Registry Number 117175-91-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20N6O4
InChI InChI=1S/C18H20N6O4/c1-10-14(16(26)23(5)17(27)20(10)2)12-8-11-13(9-24(12)7-6-19)21(3)18(28)22(4)15(11)25/h8-9,12H,7H2,1-5H3
InChIKey CXKOCSCYMBIBNQ-UHFFFAOYSA-N
Molecular Weight 384.396 g/mol
SMILES C=1(C(N(C)C(N(C1C)C)=O)=O)C1C=C2C(N(C)C(N(C2=CN1CC#N)C)=O)=O
SPLASH splash10-000x-0019000000-db093733ce7807342436
Source of Spectrum Y-25-207-3
Synonyms 2-[1,3-dimethyl-2,4-dioxo-6-(1,3,4-trimethyl-2,6-dioxo-5-pyrimidinyl)-6H-pyrido[3,4-d]pyrimidin-7-yl]acetonitrile 2-[1,3-dimethyl-2,4-dioxo-6-(1,3,4-trimethyl-2,6-dioxo-pyrimidin-5-yl)-6H-pyrido[3,4-d]pyrimidin-7-yl]acetonitrile 2-[6-(2,4-diketo-1,3,6-trimethyl-pyrimidin-5-yl)-2,4-diketo-1,3-dimethyl-6H-pyrido[3,4-d]pyrimidin-7-yl]acetonitrile
Wiley ID 1361378