6-cyano-N-[5-[[1-cyclopropyl-2,6-bis(oxidanylidene)-3-prop-2-enyl-5,7-dihydro-4H-purin-8-yl]methyl]pyridin-2-yl]-N-methyl-pyridine-3-carboxamide

Systemtic Name: 6-cyano-N-[5-[[1-cyclopropyl-2,6-bis(oxidanylidene)-3-prop-2-enyl-5,7-dihydro-4H-purin-8-yl]methyl]pyridin-2-yl]-N-methyl-pyridine-3-carboxamide Openeye Name: N-[5-[(3-allyl-1-cyclopropyl-2,6-dioxo-5,7-dihydro-4H-purin-8-yl)methyl]-2-pyridyl]-6-cyano-N-methyl-pyridine-3-carboxamide CAS Name: 6-cyano-N-[5-[(1-cyclopropyl-2,6-dioxo-3-prop-2-enyl-5,7-dihydro-4H-purin-8-yl)methyl]-2-pyridinyl]-N-methyl-3-pyridinecarboxamide IUPAC Name: 6-cyano-N-[5-[(1-cyclopropyl-2,6-dioxo-3-prop-2-enyl-5,7-dihydro-4H-purin-8-yl)methyl]pyridin-2-yl]-N-methylpyridine-3-carboxamide Traditional Name: N-[5-[(3-allyl-1-cyclopropyl-2,6-diketo-5,7-dihydro-4H-purin-8-yl)methyl]-2-pyridyl]-6-cyano-N-methyl-nicotinamide Formula: C25H24N8O3 MolecularWeight: 484.50986

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC=C(C=C1)CC2=NC3C(N2)C(=O)N(C(=O)N3CC=C)C4CC4)C(=O)C5=CN=C(C=C5)C#N

Isomeric SMILES

CN(C1=NC=C(C=C1)CC2=NC3C(N2)C(=O)N(C(=O)N3CC=C)C4CC4)C(=O)C5=CN=C(C=C5)C#N

InChI

InChI=1S/C25H24N8O3/c1-3-10-32-22-21(24(35)33(25(32)36)18-7-8-18)29-19(30-22)11-15-4-9-20(28-13-15)31(2)23(34)16-5-6-17(12-26)27-14-16/h3-6,9,13-14,18,21-22H,1,7-8,10-11H2,2H3,(H,29,30)