6-methyl-4-oxidanylidene-5-phenyl-3-(phenylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile

Systemtic Name: 6-methyl-4-oxidanylidene-5-phenyl-3-(phenylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 3-benzyl-6-methyl-4-oxo-5-phenyl-pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 6-methyl-4-oxo-5-phenyl-3-(phenylmethyl)-7-pyrrolo[3,2-d]pyrimidinecarbonitrile IUPAC Name: 3-benzyl-6-methyl-4-oxo-5-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 3-benzyl-4-keto-6-methyl-5-phenyl-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C21H16N4O MolecularWeight: 340.37794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C3=CC=CC=C3)C(=O)N(C=N2)CC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C2=C(N1C3=CC=CC=C3)C(=O)N(C=N2)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C21H16N4O/c1-15-18(12-22)19-20(25(15)17-10-6-3-7-11-17)21(26)24(14-23-19)13-16-8-4-2-5-9-16/h2-11,14H,13H2,1H3