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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(7-isopropyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-8-purinyl)thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(7-isopropyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetamide Formula: C19H20N6O3S2 MolecularWeight: 444.5305

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC(=O)NC3=NC4=CC=CC=C4S3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC(=O)NC3=NC4=CC=CC=C4S3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H20N6O3S2/c1-10(2)25-14-15(23(3)19(28)24(4)16(14)27)22-18(25)29-9-13(26)21-17-20-11-7-5-6-8-12(11)30-17/h5-8,10H,9H2,1-4H3,(H,20,21,26)