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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-5-(3-nitrophenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 4-(3,4-dimethoxyphenyl)-5-(3-nitrophenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 4-(3,4-dimethoxyphenyl)-5-(3-nitrophenyl)-7-pyrrolo[3,2-d]pyrimidinecarbonitrile IUPAC Name: 4-(3,4-dimethoxyphenyl)-5-(3-nitrophenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 4-(3,4-dimethoxyphenyl)-5-(3-nitrophenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C21H15N5O4 MolecularWeight: 401.3749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC=NC3=C2N(C=C3C#N)C4=CC(=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC=NC3=C2N(C=C3C#N)C4=CC(=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H15N5O4/c1-29-17-7-6-13(8-18(17)30-2)19-21-20(24-12-23-19)14(10-22)11-25(21)15-4-3-5-16(9-15)26(27)28/h3-9,11-12H,1-2H3