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

Systemtic Name: N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine Openeye Name: N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine CAS Name: N-(5-methyl-1H-pyrazol-3-yl)-2-[(phenylthio)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine IUPAC Name: N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine Traditional Name: (5-methyl-1H-pyrazol-3-yl)-[2-[(phenylthio)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]amine Formula: C20H23N5S MolecularWeight: 365.49512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC3=C2CCCCC3)CSC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC3=C2CCCCC3)CSC4=CC=CC=C4

InChI

InChI=1S/C20H23N5S/c1-14-12-18(25-24-14)22-20-16-10-6-3-7-11-17(16)21-19(23-20)13-26-15-8-4-2-5-9-15/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3,(H2,21,22,23,24,25)