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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-5-phenyl-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 4-(3,4-dimethoxyphenyl)-5-phenyl-pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 4-(3,4-dimethoxyphenyl)-5-phenyl-7-pyrrolo[3,2-d]pyrimidinecarbonitrile IUPAC Name: 4-(3,4-dimethoxyphenyl)-5-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 4-(3,4-dimethoxyphenyl)-5-phenyl-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C21H16N4O2 MolecularWeight: 356.37734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC=NC3=C2N(C=C3C#N)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC=NC3=C2N(C=C3C#N)C4=CC=CC=C4)OC

InChI

InChI=1S/C21H16N4O2/c1-26-17-9-8-14(10-18(17)27-2)19-21-20(24-13-23-19)15(11-22)12-25(21)16-6-4-3-5-7-16/h3-10,12-13H,1-2H3