N-[4,6-bis(methylsulfanyl)-9-pyrimidin-5-yl-nonan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

Systemtic Name: N-[4,6-bis(methylsulfanyl)-9-pyrimidin-5-yl-nonan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide Openeye Name: N-[1-methyl-3,5-bis(methylsulfanyl)-8-pyrimidin-5-yl-octyl]tetralin-2-carboxamide CAS Name: N-[4,6-bis(methylthio)-9-(5-pyrimidinyl)nonan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide IUPAC Name: N-[4,6-bis(methylsulfanyl)-9-pyrimidin-5-ylnonan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide Traditional Name: N-[1-methyl-3,5-bis(methylthio)-8-(5-pyrimidyl)octyl]tetralin-2-carboxamide Formula: C26H37N3OS2 MolecularWeight: 471.72148

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CC(CCCC1=CN=CN=C1)SC)SC)NC(=O)C2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(CC(CC(CCCC1=CN=CN=C1)SC)SC)NC(=O)C2CCC3=CC=CC=C3C2

InChI

InChI=1S/C26H37N3OS2/c1-19(29-26(30)23-12-11-21-8-4-5-9-22(21)14-23)13-25(32-3)15-24(31-2)10-6-7-20-16-27-18-28-17-20/h4-5,8-9,16-19,23-25H,6-7,10-15H2,1-3H3,(H,29,30)