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

Systemtic Name: 6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl pyridine-3-carboxylate Openeye Name: [5-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-1-methyl-pentyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 6-(3,7-dimethyl-2,6-dioxo-1-purinyl)hexan-2-yl ester IUPAC Name: 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl pyridine-3-carboxylate Traditional Name: nicotinic acid [5-(2,6-diketo-3,7-dimethyl-purin-1-yl)-1-methyl-pentyl] ester Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)OC(=O)C3=CN=CC=C3

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H23N5O4/c1-13(28-18(26)14-8-6-9-20-11-14)7-4-5-10-24-17(25)15-16(21-12-22(15)2)23(3)19(24)27/h6,8-9,11-13H,4-5,7,10H2,1-3H3