1,3-dimethyl-7H-purine-2,6-dione; pyridine-3-carboxamide

Systemtic Name: 1,3-dimethyl-7H-purine-2,6-dione; pyridine-3-carboxamide Openeye Name: 1,3-dimethyl-7H-purine-2,6-dione; pyridine-3-carboxamide CAS Name: 1,3-dimethyl-7H-purine-2,6-dione; 3-pyridinecarboxamide IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione; pyridine-3-carboxamide Traditional Name: nicotinamide; theophylline Formula: C13H14N6O3 MolecularWeight: 302.28866

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC=N2.C1=CC(=CN=C1)C(=O)N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC=N2.C1=CC(=CN=C1)C(=O)N

InChI

InChI=1S/C7H8N4O2.C6H6N2O/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;7-6(9)5-2-1-3-8-4-5/h3H,1-2H3,(H,8,9);1-4H,(H2,7,9)