[4-[(6-methylpyrimidin-4-yl)amino]phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] thiophene-2-carboxylate Openeye Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)NC2=CC=C(C=C2)OC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=NC=N1)NC2=CC=C(C=C2)OC(=O)C3=CC=CS3

InChI

InChI=1S/C16H13N3O2S/c1-11-9-15(18-10-17-11)19-12-4-6-13(7-5-12)21-16(20)14-3-2-8-22-14/h2-10H,1H3,(H,17,18,19)