4-[[6-methyl-5-(3-methylbutyl)-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoate

Systemtic Name: 4-[[6-methyl-5-(3-methylbutyl)-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoate Openeye Name: 4-[(5-isopentyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]benzoate CAS Name: 4-[[6-methyl-5-(3-methylbutyl)-4-oxo-1H-pyrimidin-2-yl]amino]benzoate IUPAC Name: 4-[[6-methyl-5-(3-methylbutyl)-4-oxo-1H-pyrimidin-2-yl]amino]benzoate Traditional Name: 4-[(5-isoamyl-4-keto-6-methyl-1H-pyrimidin-2-yl)amino]benzoate Formula: C17H20N3O3- MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NC2=CC=C(C=C2)C(=O)[O-])CCC(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NC2=CC=C(C=C2)C(=O)[O-])CCC(C)C

InChI

InChI=1S/C17H21N3O3/c1-10(2)4-9-14-11(3)18-17(20-15(14)21)19-13-7-5-12(6-8-13)16(22)23/h5-8,10H,4,9H2,1-3H3,(H,22,23)(H2,18,19,20,21)/p-1