N-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-3-oxidanyl-butyl]-N-methyl-pyridine-3-carboxamide; pyridine-3-carboxylate

Systemtic Name: N-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-3-oxidanyl-butyl]-N-methyl-pyridine-3-carboxamide; pyridine-3-carboxylate Openeye Name: N-[4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-3-hydroxy-butyl]-N-methyl-pyridine-3-carboxamide; pyridine-3-carboxylate CAS Name: N-[4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-3-hydroxybutyl]-N-methyl-3-pyridinecarboxamide; 3-pyridinecarboxylate IUPAC Name: N-[4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-hydroxybutyl]-N-methylpyridine-3-carboxamide; pyridine-3-carboxylate Traditional Name: N-[4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-3-hydroxy-butyl]-N-methyl-nicotinamide; nicotinate Formula: C24H26N7O6- MolecularWeight: 508.50654

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CCN(C)C(=O)C3=CN=CC=C3)O.C1=CC(=CN=C1)C(=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CCN(C)C(=O)C3=CN=CC=C3)O.C1=CC(=CN=C1)C(=O)[O-]

InChI

InChI=1S/C18H22N6O4.C6H5NO2/c1-21(16(26)12-5-4-7-19-9-12)8-6-13(25)10-24-11-20-15-14(24)17(27)23(3)18(28)22(15)2;8-6(9)5-2-1-3-7-4-5/h4-5,7,9,11,13,25H,6,8,10H2,1-3H3;1-4H,(H,8,9)/p-1