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

Systemtic Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] 3-methylbenzoate Openeye Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] 3-methylbenzoate CAS Name: 3-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] 3-methylbenzoate Traditional Name: 3-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=CC(=C1)C(=O)OC2=CC=CC(=C2)NC3=NC(=NC4=C3CCC4)SC

Isomeric SMILES

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

InChI

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