5-(4-methylphenyl)-4-(3-nitrophenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile

Systemtic Name: 5-(4-methylphenyl)-4-(3-nitrophenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 4-(3-nitrophenyl)-5-(p-tolyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 5-(4-methylphenyl)-4-(3-nitrophenyl)-7-pyrrolo[3,2-d]pyrimidinecarbonitrile IUPAC Name: 5-(4-methylphenyl)-4-(3-nitrophenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 4-(3-nitrophenyl)-5-(p-tolyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C20H13N5O2 MolecularWeight: 355.34952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C3=C2C(=NC=N3)C4=CC(=CC=C4)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C3=C2C(=NC=N3)C4=CC(=CC=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H13N5O2/c1-13-5-7-16(8-6-13)24-11-15(10-21)19-20(24)18(22-12-23-19)14-3-2-4-17(9-14)25(26)27/h2-9,11-12H,1H3