N,N-dicyclohexyl-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N,N-dicyclohexyl-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N,N-dicyclohexyl-2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N,N-dicyclohexyl-2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: N,N-dicyclohexyl-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: N,N-dicyclohexyl-2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]acetamide Formula: C22H33N5O3S MolecularWeight: 447.59412

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC(=O)N(C3CCCCC3)C4CCCCC4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC(=O)N(C3CCCCC3)C4CCCCC4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C22H33N5O3S/c1-24-18-19(25(2)22(30)26(3)20(18)29)23-21(24)31-14-17(28)27(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h15-16H,4-14H2,1-3H3