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

Systemtic Name: 4-(3-butylsulfanyl-5-methyl-1-phenyl-pyrazol-4-yl)-N-(6-methoxynaphthalen-2-yl)pyrimidin-2-amine Openeye Name: 4-(3-butylsulfanyl-5-methyl-1-phenyl-pyrazol-4-yl)-N-(6-methoxy-2-naphthyl)pyrimidin-2-amine CAS Name: 4-[3-(butylthio)-5-methyl-1-phenyl-4-pyrazolyl]-N-(6-methoxy-2-naphthalenyl)-2-pyrimidinamine IUPAC Name: 4-(3-butylsulfanyl-5-methyl-1-phenylpyrazol-4-yl)-N-(6-methoxynaphthalen-2-yl)pyrimidin-2-amine Traditional Name: [4-[3-(butylthio)-5-methyl-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]-(6-methoxy-2-naphthyl)amine Formula: C29H29N5OS MolecularWeight: 495.63846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29N5OS/c1-4-5-17-36-28-27(20(2)34(33-28)24-9-7-6-8-10-24)26-15-16-30-29(32-26)31-23-13-11-22-19-25(35-3)14-12-21(22)18-23/h6-16,18-19H,4-5,17H2,1-3H3,(H,30,31,32)