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

Systemtic Name: 7-(2-methoxyethyl)-3-methyl-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-3-methyl-8-[2-(2-oxoindol-3-yl)hydrazino]purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-methyl-8-[(2-oxo-3-indolyl)hydrazo]purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-methyl-8-[2-(2-oxoindol-3-yl)hydrazinyl]purine-2,6-dione Traditional Name: 8-[N'-(2-ketoindol-3-yl)hydrazino]-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C17H17N7O4 MolecularWeight: 383.36138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC3=C4C=CC=CC4=NC3=O)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC3=C4C=CC=CC4=NC3=O)CCOC

InChI

InChI=1S/C17H17N7O4/c1-23-13-12(15(26)20-17(23)27)24(7-8-28-2)16(19-13)22-21-11-9-5-3-4-6-10(9)18-14(11)25/h3-6H,7-8H2,1-2H3,(H,19,22)(H,18,21,25)(H,20,26,27)