[1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]methyl pyridine-3-carboxylate

Systemtic Name: [1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]methyl pyridine-3-carboxylate Openeye Name: (3-isobutyl-1-methyl-2,6-dioxo-purin-7-yl)methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [1-methyl-3-(2-methylpropyl)-2,6-dioxo-7-purinyl]methyl ester IUPAC Name: [1-methyl-3-(2-methylpropyl)-2,6-dioxopurin-7-yl]methyl pyridine-3-carboxylate Traditional Name: nicotinic acid (3-isobutyl-2,6-diketo-1-methyl-purin-7-yl)methyl ester Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)COC(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)COC(=O)C3=CN=CC=C3

InChI

InChI=1S/C17H19N5O4/c1-11(2)8-22-14-13(15(23)20(3)17(22)25)21(9-19-14)10-26-16(24)12-5-4-6-18-7-12/h4-7,9,11H,8,10H2,1-3H3