2-[2-(1H-benzimidazol-2-ylamino)-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[2-(1H-benzimidazol-2-ylamino)-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[2-(1H-benzimidazol-2-ylamino)-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[2-(1H-benzimidazol-2-ylamino)-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[2-(1H-benzimidazol-2-ylamino)-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[2-(1H-benzimidazol-2-ylamino)-4-keto-6-methyl-1H-pyrimidin-5-yl]acetic acid Formula: C14H13N5O3 MolecularWeight: 299.28472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NC2=NC3=CC=CC=C3N2)CC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NC2=NC3=CC=CC=C3N2)CC(=O)O

InChI

InChI=1S/C14H13N5O3/c1-7-8(6-11(20)21)12(22)18-13(15-7)19-14-16-9-4-2-3-5-10(9)17-14/h2-5H,6H2,1H3,(H,20,21)(H3,15,16,17,18,19,22)