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

Systemtic Name: 2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)ethanamide Openeye Name: 2-(7-ethyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-[2-(1-piperidyl)phenyl]acetamide CAS Name: 2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-[2-(1-piperidinyl)phenyl]acetamide IUPAC Name: 2-(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide Traditional Name: 2-[(7-ethyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-(2-piperidinophenyl)acetamide Formula: C22H28N6O3S MolecularWeight: 456.56112

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3N4CCCCC4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3N4CCCCC4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C22H28N6O3S/c1-4-28-18-19(25(2)22(31)26(3)20(18)30)24-21(28)32-14-17(29)23-15-10-6-7-11-16(15)27-12-8-5-9-13-27/h6-7,10-11H,4-5,8-9,12-14H2,1-3H3,(H,23,29)