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

Systemtic Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] 3-methylbutanoate Openeye Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] 3-methylbutanoate CAS Name: 3-methylbutanoic 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-methylbutanoate Traditional Name: 3-methylbutyric acid [3-[[2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl] ester Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC1=CC=CC(=C1)NC2=NC(=NC3=C2CCC3)SC

Isomeric SMILES

CC(C)CC(=O)OC1=CC=CC(=C1)NC2=NC(=NC3=C2CCC3)SC

InChI

InChI=1S/C19H23N3O2S/c1-12(2)10-17(23)24-14-7-4-6-13(11-14)20-18-15-8-5-9-16(15)21-19(22-18)25-3/h4,6-7,11-12H,5,8-10H2,1-3H3,(H,20,21,22)