N-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[(7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[(7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-2-(2-pyrimidylthio)acetamide Formula: C26H35N3OS MolecularWeight: 437.6406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNC(=O)CSC4=NC=CC=N4)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNC(=O)CSC4=NC=CC=N4)C

InChI

InChI=1S/C26H35N3OS/c1-18(2)19-7-9-21-20(15-19)8-10-22-25(3,11-5-12-26(21,22)4)17-29-23(30)16-31-24-27-13-6-14-28-24/h6-7,9,13-15,18,22H,5,8,10-12,16-17H2,1-4H3,(H,29,30)