methyl 5-methyl-2-[[2-methylpropyl-(2-oxidanyl-3-phenyl-propyl)amino]methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 5-methyl-2-[[2-methylpropyl-(2-oxidanyl-3-phenyl-propyl)amino]methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[(2-hydroxy-3-phenyl-propyl)-isobutyl-amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(2-hydroxy-3-phenylpropyl)-(2-methylpropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(2-hydroxy-3-phenylpropyl)-(2-methylpropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(2-hydroxy-3-phenyl-propyl)-isobutyl-amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S/c1-14(2)11-26(12-17(27)10-16-8-6-5-7-9-16)13-18-24-21(28)19-15(3)20(23(29)30-4)31-22(19)25-18/h5-9,14,17,27H,10-13H2,1-4H3,(H,24,25,28)