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

Systemtic Name: methyl 2-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[2-(4-methoxyphenyl)-1-azepanyl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-2-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCCCCC3C4=CC=C(C=C4)OC)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCCCCC3C4=CC=C(C=C4)OC)C(=O)OC

InChI

InChI=1S/C23H27N3O4S/c1-14-19-21(27)24-18(25-22(19)31-20(14)23(28)30-3)13-26-12-6-4-5-7-17(26)15-8-10-16(29-2)11-9-15/h8-11,17H,4-7,12-13H2,1-3H3,(H,24,25,27)