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

Systemtic Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] 6-benzamidohexanoate Openeye Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] 6-benzamidohexanoate CAS Name: 6-benzamidohexanoic 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] 6-benzamidohexanoate Traditional Name: 6-benzamidohexanoic acid [3-[[2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl] ester Formula: C27H30N4O3S MolecularWeight: 490.6171

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O3S/c1-35-27-30-23-15-9-14-22(23)25(31-27)29-20-12-8-13-21(18-20)34-24(32)16-6-3-7-17-28-26(33)19-10-4-2-5-11-19/h2,4-5,8,10-13,18H,3,6-7,9,14-17H2,1H3,(H,28,33)(H,29,30,31)