2-[[3-butyl-8-(hydroxymethyl)-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]methyl]pentanedinitrile

Systemtic Name: 2-[[3-butyl-8-(hydroxymethyl)-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]methyl]pentanedinitrile Openeye Name: 2-[[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-purin-1-yl]methyl]pentanedinitrile CAS Name: 2-[[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-1-purinyl]methyl]pentanedinitrile IUPAC Name: 2-[[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propylpurin-1-yl]methyl]pentanedinitrile Traditional Name: 2-[(3-butyl-2,6-diketo-8-methylol-7-propyl-purin-1-yl)methyl]glutaronitrile Formula: C19H26N6O3 MolecularWeight: 386.44814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(CCC#N)C#N)N(C(=N2)CO)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(CCC#N)C#N)N(C(=N2)CO)CCC

InChI

InChI=1S/C19H26N6O3/c1-3-5-10-24-17-16(23(9-4-2)15(13-26)22-17)18(27)25(19(24)28)12-14(11-21)7-6-8-20/h14,26H,3-7,9-10,12-13H2,1-2H3