6-chloranyl-N-(2,3-dimethylphenyl)-2-octylsulfanyl-pyrimidin-4-amine

Systemtic Name: 6-chloranyl-N-(2,3-dimethylphenyl)-2-octylsulfanyl-pyrimidin-4-amine Openeye Name: 6-chloro-N-(2,3-dimethylphenyl)-2-octylsulfanyl-pyrimidin-4-amine CAS Name: 6-chloro-N-(2,3-dimethylphenyl)-2-(octylthio)-4-pyrimidinamine IUPAC Name: 6-chloro-N-(2,3-dimethylphenyl)-2-octylsulfanylpyrimidin-4-amine Traditional Name: [6-chloro-2-(octylthio)pyrimidin-4-yl]-(2,3-dimethylphenyl)amine Formula: C20H28ClN3S MolecularWeight: 377.97442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC(=CC(=N1)Cl)NC2=CC=CC(=C2C)C

Isomeric SMILES

CCCCCCCCSC1=NC(=CC(=N1)Cl)NC2=CC=CC(=C2C)C

InChI

InChI=1S/C20H28ClN3S/c1-4-5-6-7-8-9-13-25-20-23-18(21)14-19(24-20)22-17-12-10-11-15(2)16(17)3/h10-12,14H,4-9,13H2,1-3H3,(H,22,23,24)