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

Systemtic Name: 4-(3-hexylsulfanyl-5-methyl-1-phenyl-pyrazol-4-yl)-N-phenyl-pyrimidin-2-amine Openeye Name: 4-(3-hexylsulfanyl-5-methyl-1-phenyl-pyrazol-4-yl)-N-phenyl-pyrimidin-2-amine CAS Name: 4-[3-(hexylthio)-5-methyl-1-phenyl-4-pyrazolyl]-N-phenyl-2-pyrimidinamine IUPAC Name: 4-(3-hexylsulfanyl-5-methyl-1-phenylpyrazol-4-yl)-N-phenylpyrimidin-2-amine Traditional Name: [4-[3-(hexylthio)-5-methyl-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]-phenyl-amine Formula: C26H29N5S MolecularWeight: 443.60696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC=CC=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCCCCCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC=CC=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C26H29N5S/c1-3-4-5-12-19-32-25-24(20(2)31(30-25)22-15-10-7-11-16-22)23-17-18-27-26(29-23)28-21-13-8-6-9-14-21/h6-11,13-18H,3-5,12,19H2,1-2H3,(H,27,28,29)