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3-Cyano-5-dihexylamino-6-phenyl-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
SpectraBase Compound ID EwWJ5jdkhHM
InChI InChI=1S/C31H38N6O/c1-4-6-8-13-21-35(22-14-9-7-5-2)31-33-28-27(23-32)34-37(26-19-17-24(3)18-20-26)29(28)30(38)36(31)25-15-11-10-12-16-25/h10-12,15-20H,4-9,13-14,21-22H2,1-3H3
InChIKey LEVNKMYQGMKRNQ-UHFFFAOYSA-N
Mol Weight 510.7 g/mol
Molecular Formula C31H38N6O
Exact Mass 510.31071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9EpmJn2Ko5l
Name 3-Cyano-5-dihexylamino-6-phenyl-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H38N6O
InChI InChI=1S/C31H38N6O/c1-4-6-8-13-21-35(22-14-9-7-5-2)31-33-28-27(23-32)34-37(26-19-17-24(3)18-20-26)29(28)30(38)36(31)25-15-11-10-12-16-25/h10-12,15-20H,4-9,13-14,21-22H2,1-3H3
InChIKey LEVNKMYQGMKRNQ-UHFFFAOYSA-N
Molecular Weight 510.686 g/mol
SMILES c12c(N=C(N(C2=O)c2ccccc2)N(CCCCCC)CCCCCC)c(C#N)n[n]1-c1ccc(cc1)C
SPLASH splash10-004l-4017920000-8d9e29e3e0df0aa3d90c
Source of Spectrum F-66-5118-8E
Wiley ID 1683271