ethyl 5-methyl-4-(1-oxidanylbutan-2-ylamino)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-(1-oxidanylbutan-2-ylamino)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[1-(hydroxymethyl)propylamino]-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(1-hydroxybutan-2-ylamino)-5-methyl-2-[(phenylthio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-hydroxybutan-2-ylamino)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(1-methylolpropylamino)-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=C2C(=C(SC2=NC(=N1)CSC3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCC(CO)NC1=C2C(=C(SC2=NC(=N1)CSC3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C21H25N3O3S2/c1-4-14(11-25)22-19-17-13(3)18(21(26)27-5-2)29-20(17)24-16(23-19)12-28-15-9-7-6-8-10-15/h6-10,14,25H,4-5,11-12H2,1-3H3,(H,22,23,24)