2-methoxyethyl 5-methyl-4-[(3-methylsulfanylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methoxyethyl 5-methyl-4-[(3-methylsulfanylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 5-methyl-4-(3-methylsulfanylanilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[3-(methylthio)anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 5-methyl-4-(3-methylsulfanylanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[3-(methylthio)anilino]thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC(=CC=C3)SC)C(=O)OCCOC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC(=CC=C3)SC)C(=O)OCCOC

InChI

InChI=1S/C18H19N3O3S2/c1-11-14-16(21-12-5-4-6-13(9-12)25-3)19-10-20-17(14)26-15(11)18(22)24-8-7-23-2/h4-6,9-10H,7-8H2,1-3H3,(H,19,20,21)