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

Systemtic Name: 4-(5-methyl-1-phenyl-3-propylsulfanyl-pyrazol-4-yl)-N-phenyl-pyrimidin-2-amine Openeye Name: 4-(5-methyl-1-phenyl-3-propylsulfanyl-pyrazol-4-yl)-N-phenyl-pyrimidin-2-amine CAS Name: 4-[5-methyl-1-phenyl-3-(propylthio)-4-pyrazolyl]-N-phenyl-2-pyrimidinamine IUPAC Name: 4-(5-methyl-1-phenyl-3-propylsulfanylpyrazol-4-yl)-N-phenylpyrimidin-2-amine Traditional Name: [4-[5-methyl-1-phenyl-3-(propylthio)pyrazol-4-yl]pyrimidin-2-yl]-phenyl-amine Formula: C23H23N5S MolecularWeight: 401.52722

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC=CC=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC=CC=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C23H23N5S/c1-3-16-29-22-21(17(2)28(27-22)19-12-8-5-9-13-19)20-14-15-24-23(26-20)25-18-10-6-4-7-11-18/h4-15H,3,16H2,1-2H3,(H,24,25,26)