4-[[6-azanyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]carbamoyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[6-azanyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]carbamoyl]-3-methoxy-benzoic acid Openeye Name: 4-[(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)carbamoyl]-3-methoxy-benzoic acid CAS Name: 4-[[(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)amino]-oxomethyl]-3-methoxybenzoic acid IUPAC Name: 4-[(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)carbamoyl]-3-methoxybenzoic acid Traditional Name: 4-[(6-amino-2,4-diketo-1H-pyrimidin-5-yl)carbamoyl]-3-methoxy-benzoic acid Formula: C13H12N4O6 MolecularWeight: 320.25758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)C(=O)NC2=C(NC(=O)NC2=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)C(=O)NC2=C(NC(=O)NC2=O)N

InChI

InChI=1S/C13H12N4O6/c1-23-7-4-5(12(20)21)2-3-6(7)10(18)15-8-9(14)16-13(22)17-11(8)19/h2-4H,1H3,(H,15,18)(H,20,21)(H4,14,16,17,19,22)