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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(N3C(C)C)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(N3C(C)C)C(=O)N(C(=O)N4C)C

InChI

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