N-[(E)-2-[3-methyl-2,6-bis(oxidanylidene)-8-piperidin-1-yl-purin-7-yl]ethylideneamino]benzamide

Systemtic Name: N-[(E)-2-[3-methyl-2,6-bis(oxidanylidene)-8-piperidin-1-yl-purin-7-yl]ethylideneamino]benzamide Openeye Name: N-[(E)-2-[3-methyl-2,6-dioxo-8-(1-piperidyl)purin-7-yl]ethylideneamino]benzamide CAS Name: N-[(E)-2-[3-methyl-2,6-dioxo-8-(1-piperidinyl)-7-purinyl]ethylideneamino]benzamide IUPAC Name: N-[(E)-2-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)ethylideneamino]benzamide Traditional Name: N-[(E)-2-(2,6-diketo-3-methyl-8-piperidino-purin-7-yl)ethylideneamino]benzamide Formula: C20H23N7O3 MolecularWeight: 409.44172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC=NNC(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)C/C=N/NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H23N7O3/c1-25-16-15(18(29)23-20(25)30)27(19(22-16)26-11-6-3-7-12-26)13-10-21-24-17(28)14-8-4-2-5-9-14/h2,4-5,8-10H,3,6-7,11-13H2,1H3,(H,24,28)(H,23,29,30)/b21-10+