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6-Benzyl-9-methylcyclohepta[b]pyrimido[5,4-d]pyrrole-8(6H),10(9H)-dione
SpectraBase Compound ID 7NByn3ShOnW
InChI InChI=1S/C19H15N3O2/c1-21-18(23)16-14-10-6-3-7-11-15(14)22(17(16)20-19(21)24)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3
InChIKey CYXYZIGPEGHZLM-UHFFFAOYSA-N
Mol Weight 317.35 g/mol
Molecular Formula C19H15N3O2
Exact Mass 317.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CuxCS4GXiZx
Name 6-Benzyl-9-methylcyclohepta[b]pyrimido[5,4-d]pyrrole-8(6H),10(9H)-dione
Alternate Name(s) 10-benzyl-3-methylcyclohepta[1,2]pyrrolo[2,4-b]pyrimidine-2,4-dione 10-benzyl-3-methyl-cyclohepta[1,2]pyrrolo[2,4-b]pyrimidine-2,4-dione 3-methyl-10-(phenylmethyl)cyclohepta[1,2]pyrrolo[2,4-b]pyrimidine-2,4-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15N3O2
InChI InChI=1S/C19H15N3O2/c1-21-18(23)16-14-10-6-3-7-11-15(14)22(17(16)20-19(21)24)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3
InChIKey CYXYZIGPEGHZLM-UHFFFAOYSA-N
Molecular Weight 317.348 g/mol
SMILES C=12C(=NC(N(C2=O)C)=O)N(Cc2ccccc2)C=2C1C=CC=CC2
SPLASH splash10-0006-9002000000-05c1d3465977841e55b2
Source of Spectrum SO-0-652-3
Wiley ID 877699