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

Systemtic Name: propan-2-yl 2-[[3-methoxypropyl-(3-methyl-2-oxidanyl-butyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 2-[[(2-hydroxy-3-methyl-butyl)-(3-methoxypropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(2-hydroxy-3-methylbutyl)-(3-methoxypropyl)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-[[(2-hydroxy-3-methylbutyl)-(3-methoxypropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(2-hydroxy-3-methyl-butyl)-(3-methoxypropyl)amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C21H33N3O5S MolecularWeight: 439.56882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O5S/c1-12(2)15(25)10-24(8-7-9-28-6)11-16-22-19(26)17-14(5)18(30-20(17)23-16)21(27)29-13(3)4/h12-13,15,25H,7-11H2,1-6H3,(H,22,23,26)