4-[3-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)propylcarbamoyl]benzoic acid

Systemtic Name: 4-[3-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)propylcarbamoyl]benzoic acid Openeye Name: 4-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propylcarbamoyl]benzoic acid CAS Name: 4-[[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propylamino]-oxomethyl]benzoic acid IUPAC Name: 4-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propylcarbamoyl]benzoic acid Traditional Name: 4-[3-(2-amino-4-keto-6-methyl-1H-pyrimidin-5-yl)propylcarbamoyl]benzoic acid Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N)CCCNC(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N)CCCNC(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H18N4O4/c1-9-12(14(22)20-16(17)19-9)3-2-8-18-13(21)10-4-6-11(7-5-10)15(23)24/h4-7H,2-3,8H2,1H3,(H,18,21)(H,23,24)(H3,17,19,20,22)