methyl 2-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 2-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[4-(2-hydroxyphenyl)-1-piperazinyl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[4-(2-hydroxyphenyl)piperazino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)C4=CC=CC=C4O)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)C4=CC=CC=C4O)C(=O)OC

InChI

InChI=1S/C20H22N4O4S/c1-12-16-18(26)21-15(22-19(16)29-17(12)20(27)28-2)11-23-7-9-24(10-8-23)13-5-3-4-6-14(13)25/h3-6,25H,7-11H2,1-2H3,(H,21,22,26)