[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 4-methylthieno[2,3-b]indole-2-carboxylate

Systemtic Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 4-methylthieno[2,3-b]indole-2-carboxylate Openeye Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxo-ethyl] 4-methylthieno[2,3-b]indole-2-carboxylate CAS Name: 4-methyl-2-thieno[2,3-b]indolecarboxylic acid [2-[(4,6-dimethoxy-2-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 4-methylthieno[2,3-b]indole-2-carboxylate Traditional Name: 4-methylthien[2,3-b]indole-2-carboxylic acid [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-keto-ethyl] ester Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C1SC(=C3)C(=O)OCC(=O)NC4=NC(=CC(=N4)OC)OC

Isomeric SMILES

CN1C2=CC=CC=C2C3=C1SC(=C3)C(=O)OCC(=O)NC4=NC(=CC(=N4)OC)OC

InChI

InChI=1S/C20H18N4O5S/c1-24-13-7-5-4-6-11(13)12-8-14(30-18(12)24)19(26)29-10-15(25)21-20-22-16(27-2)9-17(23-20)28-3/h4-9H,10H2,1-3H3,(H,21,22,23,25)