8-oxidanylidene-2,9-diphenyl-2,7-dihydro-1H-purine-6-carbonitrile

Systemtic Name: 8-oxidanylidene-2,9-diphenyl-2,7-dihydro-1H-purine-6-carbonitrile Openeye Name: 8-oxo-2,9-diphenyl-2,7-dihydro-1H-purine-6-carbonitrile CAS Name: 8-oxo-2,9-diphenyl-2,7-dihydro-1H-purine-6-carbonitrile IUPAC Name: 8-oxo-2,9-diphenyl-2,7-dihydro-1H-purine-6-carbonitrile Traditional Name: 8-keto-2,9-diphenyl-2,7-dihydro-1H-purine-6-carbonitrile Formula: C18H13N5O MolecularWeight: 315.32872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2NC(=C3C(=N2)N(C(=O)N3)C4=CC=CC=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2NC(=C3C(=N2)N(C(=O)N3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C18H13N5O/c19-11-14-15-17(22-16(20-14)12-7-3-1-4-8-12)23(18(24)21-15)13-9-5-2-6-10-13/h1-10,16,20H,(H,21,24)