4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(6-phenoxy-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(6-phenoxy-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)butyramide Formula: C24H22N6O4S MolecularWeight: 490.53428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C24H22N6O4S/c1-28-21-20(22(32)29(2)24(28)33)30(14-25-21)12-6-9-19(31)27-23-26-17-11-10-16(13-18(17)35-23)34-15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3,(H,26,27,31)