propan-2-yl 5-methyl-4-oxidanylidene-2-[[2-oxidanylpropyl-(phenylmethyl)amino]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: propan-2-yl 5-methyl-4-oxidanylidene-2-[[2-oxidanylpropyl-(phenylmethyl)amino]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 2-[[benzyl(2-hydroxypropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[2-hydroxypropyl-(phenylmethyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[benzyl(2-hydroxypropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[benzyl(2-hydroxypropyl)amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC3=CC=CC=C3)CC(C)O)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC3=CC=CC=C3)CC(C)O)C(=O)OC(C)C

InChI

InChI=1S/C22H27N3O4S/c1-13(2)29-22(28)19-15(4)18-20(27)23-17(24-21(18)30-19)12-25(10-14(3)26)11-16-8-6-5-7-9-16/h5-9,13-14,26H,10-12H2,1-4H3,(H,23,24,27)