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

Systemtic Name: 8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-[2-(5-bromo-2-oxo-indol-3-yl)hydrazino]-1,3-dimethyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-[(5-bromo-2-oxo-3-indolyl)hydrazo]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-[N'-(5-bromo-2-keto-indol-3-yl)hydrazino]-1,3-dimethyl-7-(2-methylallyl)xanthine Formula: C19H18BrN7O3 MolecularWeight: 472.29532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H18BrN7O3/c1-9(2)8-27-14-15(25(3)19(30)26(4)17(14)29)22-18(27)24-23-13-11-7-10(20)5-6-12(11)21-16(13)28/h5-7H,1,8H2,2-4H3,(H,22,24)(H,21,23,28)