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

Systemtic Name: methyl 4-[(6-methyl-4-oxidanylidene-5-pentyl-1H-pyrimidin-2-yl)amino]benzoate Openeye Name: methyl 4-[(6-methyl-4-oxo-5-pentyl-1H-pyrimidin-2-yl)amino]benzoate CAS Name: 4-[(6-methyl-4-oxo-5-pentyl-1H-pyrimidin-2-yl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-methyl-4-oxo-5-pentyl-1H-pyrimidin-2-yl)amino]benzoate Traditional Name: 4-[(5-amyl-4-keto-6-methyl-1H-pyrimidin-2-yl)amino]benzoic acid methyl ester Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(NC(=NC1=O)NC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CCCCCC1=C(NC(=NC1=O)NC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C18H23N3O3/c1-4-5-6-7-15-12(2)19-18(21-16(15)22)20-14-10-8-13(9-11-14)17(23)24-3/h8-11H,4-7H2,1-3H3,(H2,19,20,21,22)