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

Systemtic Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] 4-acetyloxybenzoate Openeye Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] 4-acetoxybenzoate CAS Name: 4-acetyloxybenzoic 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-acetyloxybenzoate Traditional Name: 4-acetoxybenzoic acid [3-[[2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl] ester Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)NC3=NC(=NC4=C3CCC4)SC

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)NC3=NC(=NC4=C3CCC4)SC

InChI

InChI=1S/C23H21N3O4S/c1-14(27)29-17-11-9-15(10-12-17)22(28)30-18-6-3-5-16(13-18)24-21-19-7-4-8-20(19)25-23(26-21)31-2/h3,5-6,9-13H,4,7-8H2,1-2H3,(H,24,25,26)