3-methyl-7-[(2E)-2-[(2-oxidanylideneindol-3-yl)hydrazinylidene]ethyl]-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2E)-2-[(2-oxidanylideneindol-3-yl)hydrazinylidene]ethyl]-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-[(2E)-2-[(2-oxoindol-3-yl)hydrazono]ethyl]-8-(1-piperidyl)purine-2,6-dione CAS Name: 3-methyl-7-[(2E)-2-[(2-oxo-3-indolyl)hydrazinylidene]ethyl]-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[(2E)-2-[(2-oxoindol-3-yl)hydrazinylidene]ethyl]-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-[(2E)-2-[(2-ketoindol-3-yl)hydrazono]ethyl]-3-methyl-8-piperidino-xanthine Formula: C21H22N8O3 MolecularWeight: 434.45118

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC=NNC4=C5C=CC=CC5=NC4=O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)C/C=N/NC4=C5C=CC=CC5=NC4=O

InChI

InChI=1S/C21H22N8O3/c1-27-17-16(19(31)25-21(27)32)29(20(24-17)28-10-5-2-6-11-28)12-9-22-26-15-13-7-3-4-8-14(13)23-18(15)30/h3-4,7-9H,2,5-6,10-12H2,1H3,(H,23,26,30)(H,25,31,32)/b22-9+