N-[4-(3-butylsulfanyl-5-methyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]-2-methyl-quinolin-6-amine

Systemtic Name: N-[4-(3-butylsulfanyl-5-methyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]-2-methyl-quinolin-6-amine Openeye Name: N-[4-(3-butylsulfanyl-5-methyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]-2-methyl-quinolin-6-amine CAS Name: N-[4-[3-(butylthio)-5-methyl-1-phenyl-4-pyrazolyl]-2-pyrimidinyl]-2-methyl-6-quinolinamine IUPAC Name: N-[4-(3-butylsulfanyl-5-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]-2-methylquinolin-6-amine Traditional Name: [4-[3-(butylthio)-5-methyl-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]-(2-methyl-6-quinolyl)amine Formula: C28H28N6S MolecularWeight: 480.62712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC4=C(C=C3)N=C(C=C4)C)C)C5=CC=CC=C5

Isomeric SMILES

CCCCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC4=C(C=C3)N=C(C=C4)C)C)C5=CC=CC=C5

InChI

InChI=1S/C28H28N6S/c1-4-5-17-35-27-26(20(3)34(33-27)23-9-7-6-8-10-23)25-15-16-29-28(32-25)31-22-13-14-24-21(18-22)12-11-19(2)30-24/h6-16,18H,4-5,17H2,1-3H3,(H,29,31,32)