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

Systemtic Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] 3-acetamidobenzoate Openeye Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic 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] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [3-[[2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl] ester Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OC2=CC=CC(=C2)NC3=NC(=NC4=C3CCC4)SC

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OC2=CC=CC(=C2)NC3=NC(=NC4=C3CCC4)SC

InChI

InChI=1S/C23H22N4O3S/c1-14(28)24-16-7-3-6-15(12-16)22(29)30-18-9-4-8-17(13-18)25-21-19-10-5-11-20(19)26-23(27-21)31-2/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,24,28)(H,25,26,27)