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

Systemtic Name: 3-methyl-7-(2-methylpropyl)-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]purine-2,6-dione Openeye Name: 7-isobutyl-3-methyl-8-[2-(2-oxoindol-3-yl)hydrazino]purine-2,6-dione CAS Name: 3-methyl-7-(2-methylpropyl)-8-[(2-oxo-3-indolyl)hydrazo]purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylpropyl)-8-[2-(2-oxoindol-3-yl)hydrazinyl]purine-2,6-dione Traditional Name: 7-isobutyl-8-[N'-(2-ketoindol-3-yl)hydrazino]-3-methyl-xanthine Formula: C18H19N7O3 MolecularWeight: 381.38856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1NNC3=C4C=CC=CC4=NC3=O)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1NNC3=C4C=CC=CC4=NC3=O)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H19N7O3/c1-9(2)8-25-13-14(24(3)18(28)21-16(13)27)20-17(25)23-22-12-10-6-4-5-7-11(10)19-15(12)26/h4-7,9H,8H2,1-3H3,(H,20,23)(H,19,22,26)(H,21,27,28)