Ethyl 2,4-dihydroxy-7-(4-(hydroxy(oxido)amino)phenyl)-6,7-dihydro-5H-pyrano(2,3-d)pyrimidine-6-carboxylate

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Basic information

CAS: 69310-75-4
Standard SMILES: CCOC(=O)C1Cc2c([nH]c(=O)[nH]c2=O)OC1c1ccc([N+](=O)[O-])cc1
InChIKey: FQCZDYNWLAHGCW-UHFFFAOYSA-N
Molecular formula: C16H15N3O7
Average molar mass: 361.31 g/mol
Monoisotopic mass: 361.09099983

Names & identifiers

Preferred name: Ethyl 2,4-dihydroxy-7-(4-(hydroxy(oxido)amino)phenyl)-6,7-dihydro-5H-pyrano(2,3-d)pyrimidine-6-carboxylate
IUPAC: ethyl 7-(4-nitrophenyl)-2,4-dioxo-1,5,6,7-tetrahydropyrano[2,3-d]pyrimidine-6-carboxylate

Names & synonyms

69310-75-4NSC332193NSC 332193Ethyl 2,4-dihydroxy-7-(4-(hydroxy(oxido)amino)phenyl)-6,7-dihydro-5H-pyrano(2,3-d)pyrimidine-6-carboxylateethyl 2,4-dihydroxy-7-(4-nitrophenyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-6-carboxylateEthyl 2,4-dihydroxy-7-(4-(hydroxy(oxido)amino)phenyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-6-carboxylateDTXSID00989028NSC-332193DS-0133602H-Pyrano[2,3-d]pyrimidine-6-carboxylicacid, 1,3,4,5,6,7-hexahydro-7-(4-nitrophenyl)-2,4-dioxo-, ethyl ester

Database identifiers

CAS: 69310-75-4
PubChem CID: 332837
DTXSID: DTXSID00989028

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 140 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 26
Formal charge: 0
Complexity: 661

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