AC1O0WLQ

8-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione

Also Known As: UPCMLD0ENAT5829912:001|(E)-8-(2-(5-bromo-2-oxoindolin-3-ylidene)hydrazinyl)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione|8-[(2E)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-6-hydroxy-3-methyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-2H-purin-2-one|8-{2-[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}-3-methyl-7-(2-methylprop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione|8-[(2Z)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino]-3-methyl-7-(2-methyl-2-propenyl)-3,7-dihydro-1H-purine-2,6-dione|8-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione|8-[2-(5-bromo-2-oxo-indol-3-yl)hydrazinyl]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione|8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione|8-{[(5-bromo-2-oxo(1H-benzo[d]azolin-3-ylidene))azamethyl]amino}-3-methyl-7-(2 -methylprop-2-enyl)-1,3,7-trihydropurine-2,6-dione

Molecular Formula	C18H16BrN7O3
Molecular Weight	457.0498 g/mol
LogP	3.3642
Topological Polar Surface Area	133.42 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	457.0498
Monoisotopic Mass	457.0498
Heavy Atoms	29
Complexity	1437.9388

Chemical Identifiers

CAS Number	372184-52-6
SMILES	CC(=C)CN1C2=C(N=C1N=NC3=C(NC4=C3C=C(C=C4)Br)O)N(C(=O)NC2=O)C