2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-yl-pyrimidin-4-amine

Systemtic Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-yl-pyrimidin-4-amine Openeye Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-yl-pyrimidin-4-amine CAS Name: 2-[(3,5-dimethylphenyl)methylthio]-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-pyrrolidinyl)-4-pyrimidinamine IUPAC Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine Traditional Name: [2-[(3,5-dimethylbenzyl)thio]-6-pyrrolidino-pyrimidin-4-yl]-(5-methyl-1H-pyrazol-3-yl)amine Formula: C21H26N6S MolecularWeight: 394.53634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSC2=NC(=CC(=N2)NC3=NNC(=C3)C)N4CCCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSC2=NC(=CC(=N2)NC3=NNC(=C3)C)N4CCCC4)C

InChI

InChI=1S/C21H26N6S/c1-14-8-15(2)10-17(9-14)13-28-21-23-18(22-19-11-16(3)25-26-19)12-20(24-21)27-6-4-5-7-27/h8-12H,4-7,13H2,1-3H3,(H2,22,23,24,25,26)