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

Systemtic Name: methyl 5-[(2-azanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]-2-propoxy-benzoate Openeye Name: methyl 5-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)methyl]-2-propoxy-benzoate CAS Name: 5-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)methyl]-2-propoxybenzoic acid methyl ester IUPAC Name: methyl 5-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)methyl]-2-propoxybenzoate Traditional Name: 5-[(2-amino-4-hydroxy-6-keto-1H-pyrimidin-5-yl)methyl]-2-propoxy-benzoic acid methyl ester Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CC2=C(N=C(NC2=O)N)O)C(=O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CC2=C(N=C(NC2=O)N)O)C(=O)OC

InChI

InChI=1S/C16H19N3O5/c1-3-6-24-12-5-4-9(7-10(12)15(22)23-2)8-11-13(20)18-16(17)19-14(11)21/h4-5,7H,3,6,8H2,1-2H3,(H4,17,18,19,20,21)