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

Systemtic Name: methyl 5-methyl-4-oxidanylidene-2-[[2-oxidanylpropyl-(phenylmethyl)amino]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[benzyl(2-hydroxypropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[2-hydroxypropyl-(phenylmethyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[benzyl(2-hydroxypropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[benzyl(2-hydroxypropyl)amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-12(24)9-23(10-14-7-5-4-6-8-14)11-15-21-18(25)16-13(2)17(20(26)27-3)28-19(16)22-15/h4-8,12,24H,9-11H2,1-3H3,(H,21,22,25)