ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate

ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate

Also Known As: AG-690/11203367|ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate|ethyl {[7-(3-chloro-2-butenyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate|ethyl ({7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate|2-[[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxo-8-purinyl]thio]acetic acid ethyl ester|(Z)-ethyl 2-((7-(3-chlorobut-2-en-1-yl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate|2-[[7-[(Z)-3-chlorobut-2-enyl]-2,6-diketo-3-methyl-purin-8-yl]thio]acetic acid ethyl ester|ethyl 2-[7-[(Z)-3-chloranylbut-2-enyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate

Molecular Formula	C14H17ClN4O4S
Molecular Weight	372.06592 g/mol
LogP	1.2211
Topological Polar Surface Area	98.98 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	372.06592
Monoisotopic Mass	372.06592
Heavy Atoms	24
Complexity	907.8608

Chemical Identifiers

CAS Number	1164524-95-1
SMILES	CCOC(=O)CSC1=NC2=C(N1C/C=C(/C)\Cl)C(=O)NC(=O)N2C