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

Systemtic Name: N-(2-piperidin-1-ylphenyl)-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-[2-(1-piperidyl)phenyl]-2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-[2-(1-piperidinyl)phenyl]-2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: N-(2-piperidin-1-ylphenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: 2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]-N-(2-piperidinophenyl)acetamide Formula: C21H26N6O3S MolecularWeight: 442.53454

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3N4CCCCC4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3N4CCCCC4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H26N6O3S/c1-24-17-18(25(2)21(30)26(3)19(17)29)23-20(24)31-13-16(28)22-14-9-5-6-10-15(14)27-11-7-4-8-12-27/h5-6,9-10H,4,7-8,11-13H2,1-3H3,(H,22,28)