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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3=CC=C(C=C3)C#N)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3=CC=C(C=C3)C#N)N(C1=O)C

InChI

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