[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-2,4-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-2,4-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 5-amino-2,4-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-2,4-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-2,4-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(SC2=NC(=N1)C)C(=O)OCC(=O)NC3=CC=C(C=C3)SC)N

Isomeric SMILES

CC1=C2C(=C(SC2=NC(=N1)C)C(=O)OCC(=O)NC3=CC=C(C=C3)SC)N

InChI

InChI=1S/C18H18N4O3S2/c1-9-14-15(19)16(27-17(14)21-10(2)20-9)18(24)25-8-13(23)22-11-4-6-12(26-3)7-5-11/h4-7H,8,19H2,1-3H3,(H,22,23)