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

Systemtic Name: ethyl 4-[7-cyano-4-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidin-5-yl]benzoate Openeye Name: ethyl 4-[7-cyano-4-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidin-5-yl]benzoate CAS Name: 4-[7-cyano-4-(4-methoxyphenyl)-5-pyrrolo[3,2-d]pyrimidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[7-cyano-4-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidin-5-yl]benzoate Traditional Name: 4-[7-cyano-4-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidin-5-yl]benzoic acid ethyl ester Formula: C23H18N4O3 MolecularWeight: 398.41402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C=C(C3=C2C(=NC=N3)C4=CC=C(C=C4)OC)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C=C(C3=C2C(=NC=N3)C4=CC=C(C=C4)OC)C#N

InChI

InChI=1S/C23H18N4O3/c1-3-30-23(28)16-4-8-18(9-5-16)27-13-17(12-24)21-22(27)20(25-14-26-21)15-6-10-19(29-2)11-7-15/h4-11,13-14H,3H2,1-2H3