N-[1-[1,3-diethyl-2,6-bis(oxidanylidene)purin-7-yl]propan-2-ylideneamino]pyridine-4-carboxamide

Systemtic Name: N-[1-[1,3-diethyl-2,6-bis(oxidanylidene)purin-7-yl]propan-2-ylideneamino]pyridine-4-carboxamide Openeye Name: N-[[2-(1,3-diethyl-2,6-dioxo-purin-7-yl)-1-methyl-ethylidene]amino]pyridine-4-carboxamide CAS Name: N-[1-(1,3-diethyl-2,6-dioxo-7-purinyl)propan-2-ylideneamino]-4-pyridinecarboxamide IUPAC Name: N-[1-(1,3-diethyl-2,6-dioxopurin-7-yl)propan-2-ylideneamino]pyridine-4-carboxamide Traditional Name: N-[[2-(1,3-diethyl-2,6-diketo-purin-7-yl)-1-methyl-ethylidene]amino]isonicotinamide Formula: C18H21N7O3 MolecularWeight: 383.40444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N7O3/c1-4-24-15-14(17(27)25(5-2)18(24)28)23(11-20-15)10-12(3)21-22-16(26)13-6-8-19-9-7-13/h6-9,11H,4-5,10H2,1-3H3,(H,22,26)