AC1LUQIJ

ethyl 2-[[5-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate

Also Known As: BAS 05290785|F1137-0007|ethyl 2-({5-[({4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl}sulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate|ethyl [(5-{[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate|ethyl 2-[[5-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate|ethyl {5-[(4-amino-2,3-dimethyl-1-thia-5,7-diaza-6-indenylthio)methyl]-4-phenyl-4H-1,2,4-triazol-3-ylthio}acetate|ethyl 2-((5-(((4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate|ethyl 2-{5-[(4-amino-5,6-dimethylthiopheno[2,3-d]pyrimidin-2-ylthio)methyl]-4- phenyl-1,2,4-triazol-3-ylthio}acetate

Molecular Formula	C21H22N6O2S3
Molecular Weight	486.09665 g/mol
LogP	4.41854
Topological Polar Surface Area	108.81 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	10
Rotatable Bonds	8
Exact Mass	486.09665
Monoisotopic Mass	486.09665
Heavy Atoms	32
Complexity	1255.644

Chemical Identifiers

CAS Number	433690-60-9
SMILES	CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC(=C4C(=C(SC4=N3)C)C)N