2-[3-methyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)-8-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-purin-1-yl]ethanamide

Systemtic Name: 2-[3-methyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)-8-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-purin-1-yl]ethanamide Openeye Name: 2-[8-(2-anilino-2-oxo-ethyl)sulfanyl-7-isopentyl-3-methyl-2,6-dioxo-purin-1-yl]acetamide CAS Name: 2-[8-[(2-anilino-2-oxoethyl)thio]-3-methyl-7-(3-methylbutyl)-2,6-dioxo-1-purinyl]acetamide IUPAC Name: 2-[8-(2-anilino-2-oxoethyl)sulfanyl-3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-1-yl]acetamide Traditional Name: 2-[8-[(2-anilino-2-keto-ethyl)thio]-7-isoamyl-2,6-diketo-3-methyl-purin-1-yl]acetamide Formula: C21H26N6O4S MolecularWeight: 458.53394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)N(C2=O)CC(=O)N)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)N(C2=O)CC(=O)N)C

InChI

InChI=1S/C21H26N6O4S/c1-13(2)9-10-26-17-18(25(3)21(31)27(19(17)30)11-15(22)28)24-20(26)32-12-16(29)23-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H2,22,28)(H,23,29)