[3-[[6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]phenyl] thiophene-2-carboxylate

Systemtic Name: [3-[[6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]phenyl] thiophene-2-carboxylate Openeye Name: [3-[(2-benzylsulfanyl-6-methyl-pyrimidin-4-yl)amino]phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [3-[[6-methyl-2-(phenylmethylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-benzylsulfanyl-6-methylpyrimidin-4-yl)amino]phenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [3-[[2-(benzylthio)-6-methyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C23H19N3O2S2 MolecularWeight: 433.54586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2)NC3=CC(=CC=C3)OC(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2)NC3=CC(=CC=C3)OC(=O)C4=CC=CS4

InChI

InChI=1S/C23H19N3O2S2/c1-16-13-21(26-23(24-16)30-15-17-7-3-2-4-8-17)25-18-9-5-10-19(14-18)28-22(27)20-11-6-12-29-20/h2-14H,15H2,1H3,(H,24,25,26)