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

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-[2-(2-oxoindol-3-yl)hydrazino]purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-[(2-oxo-3-indolyl)hydrazo]purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-[2-(2-oxoindol-3-yl)hydrazinyl]purine-2,6-dione Traditional Name: 7-isoamyl-8-[N'-(2-ketoindol-3-yl)hydrazino]-3-methyl-xanthine Formula: C19H21N7O3 MolecularWeight: 395.41514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1NNC3=C4C=CC=CC4=NC3=O)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1NNC3=C4C=CC=CC4=NC3=O)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H21N7O3/c1-10(2)8-9-26-14-15(25(3)19(29)22-17(14)28)21-18(26)24-23-13-11-6-4-5-7-12(11)20-16(13)27/h4-7,10H,8-9H2,1-3H3,(H,21,24)(H,20,23,27)(H,22,28,29)