2-[[7-butyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-1-yl]methyl]pentanedinitrile

Systemtic Name: 2-[[7-butyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-1-yl]methyl]pentanedinitrile Openeye Name: 2-[(7-butyl-3-isobutyl-2,6-dioxo-purin-1-yl)methyl]pentanedinitrile CAS Name: 2-[[7-butyl-3-(2-methylpropyl)-2,6-dioxo-1-purinyl]methyl]pentanedinitrile IUPAC Name: 2-[[7-butyl-3-(2-methylpropyl)-2,6-dioxopurin-1-yl]methyl]pentanedinitrile Traditional Name: 2-[(7-butyl-3-isobutyl-2,6-diketo-purin-1-yl)methyl]glutaronitrile Formula: C19H26N6O2 MolecularWeight: 370.44874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC(CCC#N)C#N

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC(CCC#N)C#N

InChI

InChI=1S/C19H26N6O2/c1-4-5-9-23-13-22-17-16(23)18(26)25(12-15(10-21)7-6-8-20)19(27)24(17)11-14(2)3/h13-15H,4-7,9,11-12H2,1-3H3