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

Systemtic Name: N-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-3-oxidanyl-butyl]-N-methyl-pyridine-4-carboxamide Openeye Name: N-[4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-3-hydroxy-butyl]-N-methyl-pyridine-4-carboxamide CAS Name: N-[4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-3-hydroxybutyl]-N-methyl-4-pyridinecarboxamide IUPAC Name: N-[4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-hydroxybutyl]-N-methylpyridine-4-carboxamide Traditional Name: N-[4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-3-hydroxy-butyl]-N-methyl-isonicotinamide Formula: C18H22N6O4 MolecularWeight: 386.40508

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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=CC=NC=C3)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CCN(C)C(=O)C3=CC=NC=C3)O

InChI

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