2-[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(7-butyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(7-butyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(7-butyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Formula: C21H24N6O4S2 MolecularWeight: 488.58306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H24N6O4S2/c1-5-6-9-27-16-17(25(2)21(30)26(3)18(16)29)24-20(27)32-11-15(28)23-19-22-13-8-7-12(31-4)10-14(13)33-19/h7-8,10H,5-6,9,11H2,1-4H3,(H,22,23,28)