ethyl 4-[(7-oxidanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzoate

Systemtic Name: ethyl 4-[(7-oxidanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzoate Openeye Name: ethyl 4-[(7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzoate CAS Name: 4-[(7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzoic acid ethyl ester Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2CCC3O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2CCC3O

InChI

InChI=1S/C16H17N3O3/c1-2-22-16(21)10-3-5-11(6-4-10)19-15-12-7-8-13(20)14(12)17-9-18-15/h3-6,9,13,20H,2,7-8H2,1H3,(H,17,18,19)