2-[(3-chlorophenyl)methylsulfanyl]-N6-(2-methoxyethyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-N6-(2-methoxyethyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-N6-(2-methoxyethyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine CAS Name: 2-[(3-chlorophenyl)methylthio]-N6-(2-methoxyethyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine Traditional Name: [2-[(3-chlorobenzyl)thio]-6-(2-methoxyethylamino)pyrimidin-4-yl]-(5-methyl-1H-pyrazol-3-yl)amine Formula: C18H21ClN6OS MolecularWeight: 404.91694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=CC(=NC(=N2)SCC3=CC(=CC=C3)Cl)NCCOC

Isomeric SMILES

CC1=CC(=NN1)NC2=CC(=NC(=N2)SCC3=CC(=CC=C3)Cl)NCCOC

InChI

InChI=1S/C18H21ClN6OS/c1-12-8-17(25-24-12)21-16-10-15(20-6-7-26-2)22-18(23-16)27-11-13-4-3-5-14(19)9-13/h3-5,8-10H,6-7,11H2,1-2H3,(H3,20,21,22,23,24,25)