N-[5-[1,3-diethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]pyridin-2-yl]-N-methyl-pyridine-3-carboxamide

Systemtic Name: N-[5-[1,3-diethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]pyridin-2-yl]-N-methyl-pyridine-3-carboxamide Openeye Name: N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridyl]-N-methyl-pyridine-3-carboxamide CAS Name: N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-methyl-3-pyridinecarboxamide IUPAC Name: N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)pyridin-2-yl]-N-methylpyridine-3-carboxamide Traditional Name: N-[5-(1,3-diethyl-2,6-diketo-7H-purin-8-yl)-2-pyridyl]-N-methyl-nicotinamide Formula: C21H21N7O3 MolecularWeight: 419.43654

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)C3=CN=C(C=C3)N(C)C(=O)C4=CN=CC=C4

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)C3=CN=C(C=C3)N(C)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H21N7O3/c1-4-27-18-16(20(30)28(5-2)21(27)31)24-17(25-18)13-8-9-15(23-12-13)26(3)19(29)14-7-6-10-22-11-14/h6-12H,4-5H2,1-3H3,(H,24,25)