4-(3-butylsulfanyl-5-methyl-1-phenyl-pyrazol-4-yl)-N-(3-methylphenyl)pyrimidin-2-amine

Systemtic Name: 4-(3-butylsulfanyl-5-methyl-1-phenyl-pyrazol-4-yl)-N-(3-methylphenyl)pyrimidin-2-amine Openeye Name: 4-(3-butylsulfanyl-5-methyl-1-phenyl-pyrazol-4-yl)-N-(m-tolyl)pyrimidin-2-amine CAS Name: 4-[3-(butylthio)-5-methyl-1-phenyl-4-pyrazolyl]-N-(3-methylphenyl)-2-pyrimidinamine IUPAC Name: 4-(3-butylsulfanyl-5-methyl-1-phenylpyrazol-4-yl)-N-(3-methylphenyl)pyrimidin-2-amine Traditional Name: [4-[3-(butylthio)-5-methyl-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]-(m-tolyl)amine Formula: C25H27N5S MolecularWeight: 429.58038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC=CC(=C3)C)C)C4=CC=CC=C4

Isomeric SMILES

CCCCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC=CC(=C3)C)C)C4=CC=CC=C4

InChI

InChI=1S/C25H27N5S/c1-4-5-16-31-24-23(19(3)30(29-24)21-12-7-6-8-13-21)22-14-15-26-25(28-22)27-20-11-9-10-18(2)17-20/h6-15,17H,4-5,16H2,1-3H3,(H,26,27,28)