[4-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] pyridine-4-carboxylate

Systemtic Name: [4-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] pyridine-4-carboxylate Openeye Name: [4-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[[2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl] ester IUPAC Name: [4-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[[2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl] ester Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(CCC2)C(=N1)NC3=CC=C(C=C3)OC(=O)C4=CC=NC=C4

Isomeric SMILES

CSC1=NC2=C(CCC2)C(=N1)NC3=CC=C(C=C3)OC(=O)C4=CC=NC=C4

InChI

InChI=1S/C20H18N4O2S/c1-27-20-23-17-4-2-3-16(17)18(24-20)22-14-5-7-15(8-6-14)26-19(25)13-9-11-21-12-10-13/h5-12H,2-4H2,1H3,(H,22,23,24)