N-(4-chloranyl-2-methyl-phenyl)-2-methylsulfanyl-6-phenyl-pyrimidin-4-amine

Systemtic Name: N-(4-chloranyl-2-methyl-phenyl)-2-methylsulfanyl-6-phenyl-pyrimidin-4-amine Openeye Name: N-(4-chloro-2-methyl-phenyl)-2-methylsulfanyl-6-phenyl-pyrimidin-4-amine CAS Name: N-(4-chloro-2-methylphenyl)-2-(methylthio)-6-phenyl-4-pyrimidinamine IUPAC Name: N-(4-chloro-2-methylphenyl)-2-methylsulfanyl-6-phenylpyrimidin-4-amine Traditional Name: (4-chloro-2-methyl-phenyl)-[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amine Formula: C18H16ClN3S MolecularWeight: 341.85774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC2=NC(=NC(=C2)C3=CC=CC=C3)SC

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC2=NC(=NC(=C2)C3=CC=CC=C3)SC

InChI

InChI=1S/C18H16ClN3S/c1-12-10-14(19)8-9-15(12)20-17-11-16(21-18(22-17)23-2)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,21,22)