2-(isoquinolin-1-ylmethylsulfanyl)-6-methyl-N-phenyl-pyrimidin-4-amine

Systemtic Name: 2-(isoquinolin-1-ylmethylsulfanyl)-6-methyl-N-phenyl-pyrimidin-4-amine Openeye Name: 2-(1-isoquinolylmethylsulfanyl)-6-methyl-N-phenyl-pyrimidin-4-amine CAS Name: 2-(1-isoquinolinylmethylthio)-6-methyl-N-phenyl-4-pyrimidinamine IUPAC Name: 2-(isoquinolin-1-ylmethylsulfanyl)-6-methyl-N-phenylpyrimidin-4-amine Traditional Name: [2-(1-isoquinolylmethylthio)-6-methyl-pyrimidin-4-yl]-phenyl-amine Formula: C21H18N4S MolecularWeight: 358.45942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NC=CC3=CC=CC=C32)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NC=CC3=CC=CC=C32)NC4=CC=CC=C4

InChI

InChI=1S/C21H18N4S/c1-15-13-20(24-17-8-3-2-4-9-17)25-21(23-15)26-14-19-18-10-6-5-7-16(18)11-12-22-19/h2-13H,14H2,1H3,(H,23,24,25)