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

Systemtic Name: butyl 3-[(4-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)amino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3/c1-2-3-10-24-17(23)12-6-4-7-13(11-12)19-18-20-15-9-5-8-14(15)16(22)21-18/h4,6-7,11H,2-3,5,8-10H2,1H3,(H2,19,20,21,22)