ethyl 3-[(4-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)amino]benzoate

Systemtic Name: ethyl 3-[(4-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)amino]benzoate Openeye Name: ethyl 3-[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)amino]benzoate CAS Name: 3-[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)amino]benzoate Traditional Name: 3-[(4-keto-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-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(=CC=C1)NC2=NC(=O)C3=C(N2)CCC3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=NC(=O)C3=C(N2)CCC3

InChI

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