[4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] naphthalene-1-carboxylate

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] naphthalene-1-carboxylate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C23H19N3O2S MolecularWeight: 401.48086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=CC=C(C=C2)OC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=NC(=N1)SC)NC2=CC=C(C=C2)OC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H19N3O2S/c1-15-14-21(26-23(24-15)29-2)25-17-10-12-18(13-11-17)28-22(27)20-9-5-7-16-6-3-4-8-19(16)20/h3-14H,1-2H3,(H,24,25,26)