N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(4-tert-butylthiazol-2-yl)-2-(7-isopropyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-(4-tert-butyl-2-thiazolyl)-2-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-8-purinyl)thio]acetamide IUPAC Name: N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetamide Traditional Name: N-(4-tert-butylthiazol-2-yl)-2-[(7-isopropyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetamide Formula: C19H26N6O3S2 MolecularWeight: 450.57814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC(=O)NC3=NC(=CS3)C(C)(C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC(=O)NC3=NC(=CS3)C(C)(C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H26N6O3S2/c1-10(2)25-13-14(23(6)18(28)24(7)15(13)27)22-17(25)30-9-12(26)21-16-20-11(8-29-16)19(3,4)5/h8,10H,9H2,1-7H3,(H,20,21,26)