4-[[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]methyl]-2,6-dimethoxy-benzoic acid

Systemtic Name: 4-[[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]methyl]-2,6-dimethoxy-benzoic acid Openeye Name: 4-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)methyl]-2,6-dimethoxy-benzoic acid CAS Name: 4-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)methyl]-2,6-dimethoxybenzoic acid IUPAC Name: 4-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)methyl]-2,6-dimethoxybenzoic acid Traditional Name: 4-[(2,6-diamino-4-keto-1H-pyrimidin-5-yl)methyl]-2,6-dimethoxy-benzoic acid Formula: C14H16N4O5 MolecularWeight: 320.30064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1C(=O)O)OC)CC2=C(NC(=NC2=O)N)N

Isomeric SMILES

COC1=CC(=CC(=C1C(=O)O)OC)CC2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C14H16N4O5/c1-22-8-4-6(5-9(23-2)10(8)13(20)21)3-7-11(15)17-14(16)18-12(7)19/h4-5H,3H2,1-2H3,(H,20,21)(H5,15,16,17,18,19)