methyl 2-[4-(4-chlorophenyl)-7-cyano-pyrrolo[3,2-d]pyrimidin-5-yl]benzoate

Systemtic Name: methyl 2-[4-(4-chlorophenyl)-7-cyano-pyrrolo[3,2-d]pyrimidin-5-yl]benzoate Openeye Name: methyl 2-[4-(4-chlorophenyl)-7-cyano-pyrrolo[3,2-d]pyrimidin-5-yl]benzoate CAS Name: 2-[4-(4-chlorophenyl)-7-cyano-5-pyrrolo[3,2-d]pyrimidinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(4-chlorophenyl)-7-cyanopyrrolo[3,2-d]pyrimidin-5-yl]benzoate Traditional Name: 2-[4-(4-chlorophenyl)-7-cyano-pyrrolo[3,2-d]pyrimidin-5-yl]benzoic acid methyl ester Formula: C21H13ClN4O2 MolecularWeight: 388.80652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C=C(C3=C2C(=NC=N3)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C=C(C3=C2C(=NC=N3)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C21H13ClN4O2/c1-28-21(27)16-4-2-3-5-17(16)26-11-14(10-23)19-20(26)18(24-12-25-19)13-6-8-15(22)9-7-13/h2-9,11-12H,1H3