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

Systemtic Name: N-(2,6-diethylphenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-(1,3-dimethyl-2,6-dioxo-7-propyl-purin-8-yl)sulfanyl-acetamide CAS Name: N-(2,6-diethylphenyl)-2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetamide Traditional Name: N-(2,6-diethylphenyl)-2-[(2,6-diketo-1,3-dimethyl-7-propyl-purin-8-yl)thio]acetamide Formula: C22H29N5O3S MolecularWeight: 443.56236

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)NC3=C(C=CC=C3CC)CC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)NC3=C(C=CC=C3CC)CC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C22H29N5O3S/c1-6-12-27-18-19(25(4)22(30)26(5)20(18)29)24-21(27)31-13-16(28)23-17-14(7-2)10-9-11-15(17)8-3/h9-11H,6-8,12-13H2,1-5H3,(H,23,28)