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

Systemtic Name: 2-[(3,5-dimethoxyphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-pyrimidin-4-amine Openeye Name: 2-[(3,5-dimethoxyphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholino-pyrimidin-4-amine CAS Name: 2-[(3,5-dimethoxyphenyl)methylthio]-N-(5-methyl-1H-pyrazol-3-yl)-6-(4-morpholinyl)-4-pyrimidinamine IUPAC Name: 2-[(3,5-dimethoxyphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine Traditional Name: [2-[(3,5-dimethoxybenzyl)thio]-6-morpholino-pyrimidin-4-yl]-(5-methyl-1H-pyrazol-3-yl)amine Formula: C21H26N6O3S MolecularWeight: 442.53454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCOCC3)SCC4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCOCC3)SCC4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C21H26N6O3S/c1-14-8-19(26-25-14)22-18-12-20(27-4-6-30-7-5-27)24-21(23-18)31-13-15-9-16(28-2)11-17(10-15)29-3/h8-12H,4-7,13H2,1-3H3,(H2,22,23,24,25,26)