N-(1,3-benzodioxol-5-yl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(7-isopropyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-8-purinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(1,3-dimethyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(7-isopropyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetamide Formula: C19H21N5O5S MolecularWeight: 431.46554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H21N5O5S/c1-10(2)24-15-16(22(3)19(27)23(4)17(15)26)21-18(24)30-8-14(25)20-11-5-6-12-13(7-11)29-9-28-12/h5-7,10H,8-9H2,1-4H3,(H,20,25)