methyl 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]benzoate

Systemtic Name: methyl 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]benzoate Openeye Name: methyl 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]benzoate CAS Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]benzoate Traditional Name: 2-[(7,8-dimethoxy-5H-pyrimid[5,4-b]indol-4-yl)amino]benzoic acid methyl ester Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)NC4=CC=CC=C4C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)NC4=CC=CC=C4C(=O)OC)OC

InChI

InChI=1S/C20H18N4O4/c1-26-15-8-12-14(9-16(15)27-2)23-18-17(12)21-10-22-19(18)24-13-7-5-4-6-11(13)20(25)28-3/h4-10,23H,1-3H3,(H,21,22,24)