O1-ethyl O2-[3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] ethanedioate

Systemtic Name: O1-ethyl O2-[3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] ethanedioate Openeye Name: O1-ethyl O2-[3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] oxalate CAS Name: oxalic acid O1-ethyl ester O2-[3-[[2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl] ester IUPAC Name: 1-O-ethyl 2-O-[3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] oxalate Traditional Name: oxalic acid O1-ethyl ester O2-[3-[[2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl] ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S/c1-3-24-16(22)17(23)25-12-7-4-6-11(10-12)19-15-13-8-5-9-14(13)20-18(21-15)26-2/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,19,20,21)