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

Systemtic Name: methyl 5-methyl-2-[[2-methylpropyl-(2-oxidanyl-3-phenylmethoxy-propyl)amino]methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[(3-benzyloxy-2-hydroxy-propyl)-isobutyl-amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(2-hydroxy-3-phenylmethoxypropyl)-(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-phenylmethoxypropyl)-(2-methylpropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(3-benzoxy-2-hydroxy-propyl)-isobutyl-amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O5S/c1-15(2)10-27(11-18(28)14-32-13-17-8-6-5-7-9-17)12-19-25-22(29)20-16(3)21(24(30)31-4)33-23(20)26-19/h5-9,15,18,28H,10-14H2,1-4H3,(H,25,26,29)