ethyl 4-[(2-azanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]benzoate

Systemtic Name: ethyl 4-[(2-azanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]benzoate Openeye Name: ethyl 4-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)methyl]benzoate CAS Name: 4-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)methyl]benzoate Traditional Name: 4-[(2-amino-4-hydroxy-6-keto-1H-pyrimidin-5-yl)methyl]benzoic acid ethyl ester Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CC2=C(N=C(NC2=O)N)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CC2=C(N=C(NC2=O)N)O

InChI

InChI=1S/C14H15N3O4/c1-2-21-13(20)9-5-3-8(4-6-9)7-10-11(18)16-14(15)17-12(10)19/h3-6H,2,7H2,1H3,(H4,15,16,17,18,19)