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

Systemtic Name: N-[(Z)-1-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propan-2-ylideneamino]pyridine-4-carboxamide Openeye Name: N-[(Z)-[2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-1-methyl-ethylidene]amino]pyridine-4-carboxamide CAS Name: N-[(Z)-1-(3,7-dimethyl-2,6-dioxo-1-purinyl)propan-2-ylideneamino]-4-pyridinecarboxamide IUPAC Name: N-[(Z)-1-(3,7-dimethyl-2,6-dioxopurin-1-yl)propan-2-ylideneamino]pyridine-4-carboxamide Traditional Name: N-[(Z)-[2-(2,6-diketo-3,7-dimethyl-purin-1-yl)-1-methyl-ethylidene]amino]isonicotinamide Formula: C16H17N7O3 MolecularWeight: 355.35128

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=NC=C1)CN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

C/C(=N/NC(=O)C1=CC=NC=C1)/CN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C16H17N7O3/c1-10(19-20-14(24)11-4-6-17-7-5-11)8-23-15(25)12-13(18-9-21(12)2)22(3)16(23)26/h4-7,9H,8H2,1-3H3,(H,20,24)/b19-10-