propan-2-yl 2-[[cyclopropyl-(2-oxidanyl-3-phenylmethoxy-propyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: propan-2-yl 2-[[cyclopropyl-(2-oxidanyl-3-phenylmethoxy-propyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 2-[[(3-benzyloxy-2-hydroxy-propyl)-cyclopropyl-amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[cyclopropyl-(2-hydroxy-3-phenylmethoxypropyl)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-[[cyclopropyl-(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(3-benzoxy-2-hydroxy-propyl)-cyclopropyl-amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC(COCC3=CC=CC=C3)O)C4CC4)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC(COCC3=CC=CC=C3)O)C4CC4)C(=O)OC(C)C

InChI

InChI=1S/C25H31N3O5S/c1-15(2)33-25(31)22-16(3)21-23(30)26-20(27-24(21)34-22)12-28(18-9-10-18)11-19(29)14-32-13-17-7-5-4-6-8-17/h4-8,15,18-19,29H,9-14H2,1-3H3,(H,26,27,30)