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

Systemtic Name: 2-[(3,5-dimethoxyphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-3-yl-pyrimidin-4-amine Openeye Name: 2-[(3,5-dimethoxyphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-3-yl-pyrimidin-4-amine CAS Name: 2-[(3,5-dimethoxyphenyl)methylthio]-N-(5-methyl-1H-pyrazol-3-yl)-6-(3-pyrrolidinyl)-4-pyrimidinamine IUPAC Name: 2-[(3,5-dimethoxyphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-3-ylpyrimidin-4-amine Traditional Name: [2-[(3,5-dimethoxybenzyl)thio]-6-pyrrolidin-3-yl-pyrimidin-4-yl]-(5-methyl-1H-pyrazol-3-yl)amine Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC(=C2)C3CCNC3)SCC4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2)C3CCNC3)SCC4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C21H26N6O2S/c1-13-6-20(27-26-13)24-19-10-18(15-4-5-22-11-15)23-21(25-19)30-12-14-7-16(28-2)9-17(8-14)29-3/h6-10,15,22H,4-5,11-12H2,1-3H3,(H2,23,24,25,26,27)