AC1NY7P4

7-[(Z)-3-chlorobut-2-enyl]-8-(3-imidazol-1-ylpropylamino)-3-methylpurine-2,6-dione

Also Known As: BAS 06502902|F1352-0019|(Z)-8-((3-(1H-imidazol-1-yl)propyl)amino)-7-(3-chlorobut-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione|7-[(Z)-3-chlorobut-2-enyl]-8-(3-imidazol-1-ylpropylamino)-3-methylpurine-2,6-dione|7-[(2Z)-3-chlorobut-2-en-1-yl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-((Z)-3-Chloro-but-2-enyl)-8-(3-imidazol-1-yl-propylamino)-3-methyl-3,7-dihydro-purine-2,6-dione|7-[(2Z)-3-chlorobut-2-en-1-yl]-6-hydroxy-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-2H-purin-2-one

Molecular Formula	C16H20ClN7O2
Molecular Weight	377.1367 g/mol
LogP	1.2646
Topological Polar Surface Area	102.53 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	377.1367
Monoisotopic Mass	377.1367
Heavy Atoms	26
Complexity	1039.1582

Chemical Identifiers

CAS Number	1164540-26-4
SMILES	C/C(=C/CN1C2=C(N=C1NCCCN3C=CN=C3)N(C(=O)NC2=O)C)/Cl