AC1MEYYG

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide

Also Known As: Oprea1_022469|2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide|2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide|2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(6-nitrobenzothiazol-2-yl)acetamide|2-(1,3-dimethyl-2,6-dioxo(1,3,7-trihydropurin-7-yl))-N-(6-nitrobenzothiazol-2- yl)acetamide|2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[(2E)-6-nitro-1,3-benzothiazol-2(3H)-ylidene]acetamide|2-(1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-7-YL)-N-(6-NITRO-1,3-BENZOTHIAZOL-2-YL)ACETAMIDE|2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)-N-(6-nitrobenzo[d]thiazol-2-yl)acetamide

Molecular Formula	C16H13N7O5S
Molecular Weight	415.0699 g/mol
LogP	0.5903
Topological Polar Surface Area	146.95 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	4
Exact Mass	415.0699
Monoisotopic Mass	415.0699
Heavy Atoms	29
Complexity	1427.4626

Chemical Identifiers

CAS Number	349133-07-9
SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]