[3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] pyrazine-2-carboxylate

Systemtic Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] pyrazine-2-carboxylate Openeye Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [3-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [3-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C17H15N5O2S MolecularWeight: 353.3983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=CC(=CC=C2)OC(=O)C3=NC=CN=C3

Isomeric SMILES

CC1=CC(=NC(=N1)SC)NC2=CC(=CC=C2)OC(=O)C3=NC=CN=C3

InChI

InChI=1S/C17H15N5O2S/c1-11-8-15(22-17(20-11)25-2)21-12-4-3-5-13(9-12)24-16(23)14-10-18-6-7-19-14/h3-10H,1-2H3,(H,20,21,22)