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

Systemtic Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] 4-methylbenzoate Openeye Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic 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] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-[[2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl] ester Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)NC3=NC(=NC4=C3CCC4)SC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)NC3=NC(=NC4=C3CCC4)SC

InChI

InChI=1S/C22H21N3O2S/c1-14-9-11-15(12-10-14)21(26)27-17-6-3-5-16(13-17)23-20-18-7-4-8-19(18)24-22(25-20)28-2/h3,5-6,9-13H,4,7-8H2,1-2H3,(H,23,24,25)