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

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl pyridine-3-carboxylate Openeye Name: (1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid (1,3-dimethyl-2,6-dioxo-7-purinyl)methyl ester IUPAC Name: (1,3-dimethyl-2,6-dioxopurin-7-yl)methyl pyridine-3-carboxylate Traditional Name: nicotinic acid (2,6-diketo-1,3-dimethyl-purin-7-yl)methyl ester Formula: C14H13N5O4 MolecularWeight: 315.28412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O4/c1-17-11-10(12(20)18(2)14(17)22)19(7-16-11)8-23-13(21)9-4-3-5-15-6-9/h3-7H,8H2,1-2H3