[3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [3-[[2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [3-[[2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl] ester Formula: C25H23N5O2S MolecularWeight: 457.54742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)OC3=CC=CC(=C3)NC4=NC(=NC5=C4CCC5)SC)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)OC3=CC=CC(=C3)NC4=NC(=NC5=C4CCC5)SC)N=C1C

InChI

InChI=1S/C25H23N5O2S/c1-14-15(2)27-22-12-16(10-11-21(22)26-14)24(31)32-18-7-4-6-17(13-18)28-23-19-8-5-9-20(19)29-25(30-23)33-3/h4,6-7,10-13H,5,8-9H2,1-3H3,(H,28,29,30)