3-methyl-7-octyl-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-octyl-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]purine-2,6-dione Openeye Name: 3-methyl-7-octyl-8-[2-(2-oxoindol-3-yl)hydrazino]purine-2,6-dione CAS Name: 3-methyl-7-octyl-8-[(2-oxo-3-indolyl)hydrazo]purine-2,6-dione IUPAC Name: 3-methyl-7-octyl-8-[2-(2-oxoindol-3-yl)hydrazinyl]purine-2,6-dione Traditional Name: 8-[N'-(2-ketoindol-3-yl)hydrazino]-3-methyl-7-octyl-xanthine Formula: C22H27N7O3 MolecularWeight: 437.49488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1NNC3=C4C=CC=CC4=NC3=O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1NNC3=C4C=CC=CC4=NC3=O)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H27N7O3/c1-3-4-5-6-7-10-13-29-17-18(28(2)22(32)25-20(17)31)24-21(29)27-26-16-14-11-8-9-12-15(14)23-19(16)30/h8-9,11-12H,3-7,10,13H2,1-2H3,(H,24,27)(H,23,26,30)(H,25,31,32)