N-(4-methoxyphenyl)-4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-amine

Systemtic Name: N-(4-methoxyphenyl)-4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-amine Openeye Name: N-(4-methoxyphenyl)-4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-amine CAS Name: N-(4-methoxyphenyl)-4-[5-methyl-3-(methylthio)-1-phenyl-4-pyrazolyl]-2-pyrimidinamine IUPAC Name: N-(4-methoxyphenyl)-4-(5-methyl-3-methylsulfanyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine Traditional Name: (4-methoxyphenyl)-[4-[5-methyl-3-(methylthio)-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]amine Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)SC)C3=NC(=NC=C3)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)SC)C3=NC(=NC=C3)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H21N5OS/c1-15-20(21(29-3)26-27(15)17-7-5-4-6-8-17)19-13-14-23-22(25-19)24-16-9-11-18(28-2)12-10-16/h4-14H,1-3H3,(H,23,24,25)