1-(3,4-dimethylphenyl)-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

Systemtic Name: 1-(3,4-dimethylphenyl)-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine Openeye Name: 1-(3,4-dimethylphenyl)-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine CAS Name: 1-(3,4-dimethylphenyl)-N-[[2-(methylthio)-5-pyrimidinyl]methyl]-4,5,6,7-tetrahydroindazol-4-amine IUPAC Name: 1-(3,4-dimethylphenyl)-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine Traditional Name: [1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-[[2-(methylthio)pyrimidin-5-yl]methyl]amine Formula: C21H25N5S MolecularWeight: 379.5217

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(CCC3)NCC4=CN=C(N=C4)SC)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(CCC3)NCC4=CN=C(N=C4)SC)C

InChI

InChI=1S/C21H25N5S/c1-14-7-8-17(9-15(14)2)26-20-6-4-5-19(18(20)13-25-26)22-10-16-11-23-21(27-3)24-12-16/h7-9,11-13,19,22H,4-6,10H2,1-3H3