[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(pyridin-3-ylcarbonyloxy)oxolan-2-yl]methyl pyridine-3-carboxylate

Systemtic Name: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(pyridin-3-ylcarbonyloxy)oxolan-2-yl]methyl pyridine-3-carboxylate Openeye Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-bis(pyridine-3-carbonyloxy)tetrahydrofuran-2-yl]methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-bis[oxo(3-pyridinyl)methoxy]-2-oxolanyl]methyl ester IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-bis(pyridine-3-carbonyloxy)oxolan-2-yl]methyl pyridine-3-carboxylate Traditional Name: nicotinic acid [5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dinicotinoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C27H22N6O8 MolecularWeight: 558.49898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5

InChI

InChI=1S/C27H22N6O8/c28-20-7-11-33(27(37)32-20)23-22(41-26(36)18-6-3-10-31-14-18)21(40-25(35)17-5-2-9-30-13-17)19(39-23)15-38-24(34)16-4-1-8-29-12-16/h1-14,19,21-23H,15H2,(H2,28,32,37)