2-[(4-methylphenyl)sulfanylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

Systemtic Name: 2-[(4-methylphenyl)sulfanylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine Openeye Name: N-(5-methyl-1H-pyrazol-3-yl)-2-(p-tolylsulfanylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine CAS Name: 2-[[(4-methylphenyl)thio]methyl]-N-(5-methyl-1H-pyrazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine IUPAC Name: 2-[(4-methylphenyl)sulfanylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine Traditional Name: (5-methyl-1H-pyrazol-3-yl)-[2-[(p-tolylthio)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]amine Formula: C21H25N5S MolecularWeight: 379.5217

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NC3=C(CCCCC3)C(=N2)NC4=NNC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NC3=C(CCCCC3)C(=N2)NC4=NNC(=C4)C

InChI

InChI=1S/C21H25N5S/c1-14-8-10-16(11-9-14)27-13-20-22-18-7-5-3-4-6-17(18)21(24-20)23-19-12-15(2)25-26-19/h8-12H,3-7,13H2,1-2H3,(H2,22,23,24,25,26)