4-[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]benzenecarbonitrile

Systemtic Name: 4-[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]benzenecarbonitrile Openeye Name: 4-(3-butyl-7-methyl-2,6-dioxo-purin-8-yl)benzonitrile CAS Name: 4-(3-butyl-7-methyl-2,6-dioxo-8-purinyl)benzonitrile IUPAC Name: 4-(3-butyl-7-methyl-2,6-dioxopurin-8-yl)benzonitrile Traditional Name: 4-(3-butyl-2,6-diketo-7-methyl-purin-8-yl)benzonitrile Formula: C17H17N5O2 MolecularWeight: 323.34918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C17H17N5O2/c1-3-4-9-22-15-13(16(23)20-17(22)24)21(2)14(19-15)12-7-5-11(10-18)6-8-12/h5-8H,3-4,9H2,1-2H3,(H,20,23,24)