N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[(4R)-6,6-dimethyl-1-(o-tolyl)-5,7-dihydro-4H-indazol-4-yl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[(4R)-6,6-dimethyl-1-(o-tolyl)-5,7-dihydro-4H-indazol-4-yl]-2-(2-pyrimidylthio)acetamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C=N2)C(CC(C3)(C)C)NC(=O)CSC4=NC=CC=N4

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C=N2)[C@@H](CC(C3)(C)C)NC(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C22H25N5OS/c1-15-7-4-5-8-18(15)27-19-12-22(2,3)11-17(16(19)13-25-27)26-20(28)14-29-21-23-9-6-10-24-21/h4-10,13,17H,11-12,14H2,1-3H3,(H,26,28)/t17-/m1/s1