4-[(5-butyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)amino]benzoate

Systemtic Name: 4-[(5-butyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)amino]benzoate Openeye Name: 4-[(5-butyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]benzoate CAS Name: 4-[(5-butyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]benzoate IUPAC Name: 4-[(5-butyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]benzoate Traditional Name: 4-[(5-butyl-4-keto-6-methyl-1H-pyrimidin-2-yl)amino]benzoate Formula: C16H18N3O3- MolecularWeight: 300.33242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=NC1=O)NC2=CC=C(C=C2)C(=O)[O-])C

Isomeric SMILES

CCCCC1=C(NC(=NC1=O)NC2=CC=C(C=C2)C(=O)[O-])C

InChI

InChI=1S/C16H19N3O3/c1-3-4-5-13-10(2)17-16(19-14(13)20)18-12-8-6-11(7-9-12)15(21)22/h6-9H,3-5H2,1-2H3,(H,21,22)(H2,17,18,19,20)/p-1