phenethyl 5-methyl-4-[(2-methyl-4-oxidanyl-phenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: phenethyl 5-methyl-4-[(2-methyl-4-oxidanyl-phenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 4-(4-hydroxy-2-methyl-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-hydroxy-2-methylanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(4-hydroxy-2-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-hydroxy-2-methyl-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)NC2=C3C(=C(SC3=NC=N2)C(=O)OCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=CC(=C1)O)NC2=C3C(=C(SC3=NC=N2)C(=O)OCCC4=CC=CC=C4)C

InChI

InChI=1S/C23H21N3O3S/c1-14-12-17(27)8-9-18(14)26-21-19-15(2)20(30-22(19)25-13-24-21)23(28)29-11-10-16-6-4-3-5-7-16/h3-9,12-13,27H,10-11H2,1-2H3,(H,24,25,26)