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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2C(CC3)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2C(CC3)O

InChI

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