AC1LDX8S

ethyl 2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)acetate

Also Known As: Oprea1_477836|Oprea1_852642|BAS 00162600|ethyl 2-(8-bromo-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate|Ethyl (3-methyl-8-bromxanthinyl-7)acetate|ethyl 2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)acetate|ethyl 2-(8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate|SR-01000398322-1|F0017-0704|(8-Bromo-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetic acid ethyl ester|8-bromo-3-methyl-7-tosyl-3,7-dihydro-1H-purine-2,6-dione|4-Octenoic acid, 2-acetyl-5-chloro-7,7-dimethyl-, ethyl ester|ethyl 2-(8-bromo-3-methyl-2,6-dioxo-1,3,7-trihydropurin-7-yl)acetate|butyl 2-(8-bromo-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate|(2S,4S)-3-[(2S,3R,4R,5S,6R)-3-Acetylamino-4-((2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxy-tetrahydro-pyran-2-yloxy)-5-hydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy]-2,4-dihydroxy-pentanedioic acid|Acetic acid (2R,3S,4S,5R,6R)-5-acetoxy-2-acetoxymethyl-6-methoxy-4-((2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yl ester

Molecular Formula	C10H11BrN4O4
Molecular Weight	329.99637 g/mol
LogP	0.8
Topological Polar Surface Area	93.5 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	329.99637
Monoisotopic Mass	329.99637
Heavy Atoms	19
Complexity	418.0

Chemical Identifiers

CAS Number	101072-34-8
SMILES	CCOC(=O)CN1C2=C(N=C1Br)N(C(=O)NC2=O)C
InChIKey	TZCPVUHTOJEPDP-UHFFFAOYSA-N