2-[(5-cyano-3,3-dimethyl-8-piperazin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[(5-cyano-3,3-dimethyl-8-piperazin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[(5-cyano-3,3-dimethyl-8-piperazin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-cyano-3,3-dimethyl-8-(1-piperazinyl)-1,4-dihydropyrano[3,4-c]pyridin-6-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[(5-cyano-3,3-dimethyl-8-piperazin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]-N-phenethylacetamide Traditional Name: 2-[(5-cyano-3,3-dimethyl-8-piperazino-1,4-dihydropyrano[3,4-c]pyridin-6-yl)thio]-N-phenethyl-acetamide Formula: C25H31N5O2S MolecularWeight: 465.61094

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=NC(=C2CO1)N3CCNCC3)SCC(=O)NCCC4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=NC(=C2CO1)N3CCNCC3)SCC(=O)NCCC4=CC=CC=C4)C#N)C

InChI

InChI=1S/C25H31N5O2S/c1-25(2)14-19-20(15-26)24(29-23(21(19)16-32-25)30-12-10-27-11-13-30)33-17-22(31)28-9-8-18-6-4-3-5-7-18/h3-7,27H,8-14,16-17H2,1-2H3,(H,28,31)