methyl 4-[(4-oxidanyl-6-oxidanylidene-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)oxy]-3-propyl-benzoate

Systemtic Name: methyl 4-[(4-oxidanyl-6-oxidanylidene-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)oxy]-3-propyl-benzoate Openeye Name: methyl 4-[(4-hydroxy-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)oxy]-3-propyl-benzoate CAS Name: 4-[[4-hydroxy-6-oxo-2-(2-pyrimidinyl)-1H-pyrimidin-5-yl]oxy]-3-propylbenzoic acid methyl ester IUPAC Name: methyl 4-[(4-hydroxy-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)oxy]-3-propylbenzoate Traditional Name: 4-[[4-hydroxy-6-keto-2-(2-pyrimidyl)-1H-pyrimidin-5-yl]oxy]-3-propyl-benzoic acid methyl ester Formula: C19H18N4O5 MolecularWeight: 382.37002

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)OC)OC2=C(N=C(NC2=O)C3=NC=CC=N3)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)OC)OC2=C(N=C(NC2=O)C3=NC=CC=N3)O

InChI

InChI=1S/C19H18N4O5/c1-3-5-11-10-12(19(26)27-2)6-7-13(11)28-14-17(24)22-16(23-18(14)25)15-20-8-4-9-21-15/h4,6-10H,3,5H2,1-2H3,(H2,22,23,24,25)