4-[1-methyl-2,6-bis(oxidanylidene)-3-propyl-7H-purin-8-yl]benzenecarbonitrile

Systemtic Name: 4-[1-methyl-2,6-bis(oxidanylidene)-3-propyl-7H-purin-8-yl]benzenecarbonitrile Openeye Name: 4-(1-methyl-2,6-dioxo-3-propyl-7H-purin-8-yl)benzonitrile CAS Name: 4-(1-methyl-2,6-dioxo-3-propyl-7H-purin-8-yl)benzonitrile IUPAC Name: 4-(1-methyl-2,6-dioxo-3-propyl-7H-purin-8-yl)benzonitrile Traditional Name: 4-(2,6-diketo-1-methyl-3-propyl-7H-purin-8-yl)benzonitrile Formula: C16H15N5O2 MolecularWeight: 309.3226

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)C#N

InChI

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