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

Systemtic Name: 2-[2-[(4,5-dimethyl-1H-benzimidazol-2-yl)amino]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[2-[(4,5-dimethyl-1H-benzimidazol-2-yl)amino]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[2-[(4,5-dimethyl-1H-benzimidazol-2-yl)amino]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[2-[(4,5-dimethyl-1H-benzimidazol-2-yl)amino]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[2-[(4,5-dimethyl-1H-benzimidazol-2-yl)amino]-4-keto-6-methyl-1H-pyrimidin-5-yl]acetic acid Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)NC(=N2)NC3=NC(=O)C(=C(N3)C)CC(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)NC(=N2)NC3=NC(=O)C(=C(N3)C)CC(=O)O)C

InChI

InChI=1S/C16H17N5O3/c1-7-4-5-11-13(8(7)2)19-16(18-11)21-15-17-9(3)10(6-12(22)23)14(24)20-15/h4-5H,6H2,1-3H3,(H,22,23)(H3,17,18,19,20,21,24)