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

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] pyrazine-2-carboxylate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C22H17N5O2S MolecularWeight: 415.46768

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)C3=NC=CN=C3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)C3=NC=CN=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H17N5O2S/c1-30-22-26-18(15-6-3-2-4-7-15)13-20(27-22)25-16-8-5-9-17(12-16)29-21(28)19-14-23-10-11-24-19/h2-14H,1H3,(H,25,26,27)