8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-7-[(4-chlorophenyl)methyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-7-[(4-chlorophenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-[2-(5-bromo-2-oxo-indol-3-yl)hydrazino]-7-[(4-chlorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-[(5-bromo-2-oxo-3-indolyl)hydrazo]-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-[N'-(5-bromo-2-keto-indol-3-yl)hydrazino]-7-(4-chlorobenzyl)-3-methyl-xanthine Formula: C21H15BrClN7O3 MolecularWeight: 528.7459

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC3=C4C=C(C=CC4=NC3=O)Br)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC3=C4C=C(C=CC4=NC3=O)Br)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C21H15BrClN7O3/c1-29-17-16(19(32)26-21(29)33)30(9-10-2-5-12(23)6-3-10)20(25-17)28-27-15-13-8-11(22)4-7-14(13)24-18(15)31/h2-8H,9H2,1H3,(H,25,28)(H,24,27,31)(H,26,32,33)