8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-[2-(5-bromo-2-oxo-indol-3-yl)hydrazino]-1,3-dimethyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 8-[(5-bromo-2-oxo-3-indolyl)hydrazo]-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-[N'-(5-bromo-2-keto-indol-3-yl)hydrazino]-1,3-dimethyl-7-(4-methylbenzyl)xanthine Formula: C23H20BrN7O3 MolecularWeight: 522.354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2NNC4=C5C=C(C=CC5=NC4=O)Br)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2NNC4=C5C=C(C=CC5=NC4=O)Br)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C23H20BrN7O3/c1-12-4-6-13(7-5-12)11-31-18-19(29(2)23(34)30(3)21(18)33)26-22(31)28-27-17-15-10-14(24)8-9-16(15)25-20(17)32/h4-10H,11H2,1-3H3,(H,26,28)(H,25,27,32)