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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC)CC(=NNC(=O)C3=CC=NC=C3)C

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC)C/C(=N\NC(=O)C3=CC=NC=C3)/C

InChI

InChI=1S/C18H21N7O3/c1-4-23-11-20-15-14(23)17(27)25(18(28)24(15)5-2)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)/b21-12-