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

Systemtic Name: methyl 2-[7-cyano-4-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidin-5-yl]benzoate Openeye Name: methyl 2-[7-cyano-4-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidin-5-yl]benzoate CAS Name: 2-[7-cyano-4-(4-methoxyphenyl)-5-pyrrolo[3,2-d]pyrimidinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[7-cyano-4-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidin-5-yl]benzoate Traditional Name: 2-[7-cyano-4-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidin-5-yl]benzoic acid methyl ester Formula: C22H16N4O3 MolecularWeight: 384.38744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC=NC3=C2N(C=C3C#N)C4=CC=CC=C4C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC=NC3=C2N(C=C3C#N)C4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C22H16N4O3/c1-28-16-9-7-14(8-10-16)19-21-20(25-13-24-19)15(11-23)12-26(21)18-6-4-3-5-17(18)22(27)29-2/h3-10,12-13H,1-2H3