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

Systemtic Name: 4-[3-butyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]benzenecarbonitrile Openeye Name: 4-(3-butyl-2,6-dioxo-7H-purin-8-yl)benzonitrile CAS Name: 4-(3-butyl-2,6-dioxo-7H-purin-8-yl)benzonitrile IUPAC Name: 4-(3-butyl-2,6-dioxo-7H-purin-8-yl)benzonitrile Traditional Name: 4-(3-butyl-2,6-diketo-7H-purin-8-yl)benzonitrile Formula: C16H15N5O2 MolecularWeight: 309.3226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O2/c1-2-3-8-21-14-12(15(22)20-16(21)23)18-13(19-14)11-6-4-10(9-17)5-7-11/h4-7H,2-3,8H2,1H3,(H,18,19)(H,20,22,23)