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

Systemtic Name: methyl 5-ethyl-2-[[2-methylpropyl(2-oxidanylpropyl)amino]methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-ethyl-2-[[2-hydroxypropyl(isobutyl)amino]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-ethyl-2-[[2-hydroxypropyl(2-methylpropyl)amino]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[2-hydroxypropyl(2-methylpropyl)amino]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-ethyl-2-[[2-hydroxypropyl(isobutyl)amino]methyl]-4-keto-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)NC(=N2)CN(CC(C)C)CC(C)O)C(=O)OC

Isomeric SMILES

CCC1=C(SC2=C1C(=O)NC(=N2)CN(CC(C)C)CC(C)O)C(=O)OC

InChI

InChI=1S/C18H27N3O4S/c1-6-12-14-16(23)19-13(9-21(7-10(2)3)8-11(4)22)20-17(14)26-15(12)18(24)25-5/h10-11,22H,6-9H2,1-5H3,(H,19,20,23)