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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-7-propyl-purin-8-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7-propyl-purin-8-yl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Formula: C20H22N6O4S2 MolecularWeight: 474.55648

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H22N6O4S2/c1-5-8-26-15-16(24(2)20(29)25(3)17(15)28)23-19(26)31-10-14(27)22-18-21-12-7-6-11(30-4)9-13(12)32-18/h6-7,9H,5,8,10H2,1-4H3,(H,21,22,27)