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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C17H19N5O4/c1-11-5-6-12(9-18-11)16(24)26-8-4-7-22-15(23)13-14(19-10-20(13)2)21(3)17(22)25/h5-6,9-10H,4,7-8H2,1-3H3