6-(4-methylphenyl)sulfanyl-N4-pyridin-4-yl-pyrimidine-4,5-diamine

Systemtic Name: 6-(4-methylphenyl)sulfanyl-N4-pyridin-4-yl-pyrimidine-4,5-diamine Openeye Name: 6-(p-tolylsulfanyl)-N4-(4-pyridyl)pyrimidine-4,5-diamine CAS Name: 6-[(4-methylphenyl)thio]-N4-pyridin-4-ylpyrimidine-4,5-diamine IUPAC Name: 6-(4-methylphenyl)sulfanyl-4-N-pyridin-4-ylpyrimidine-4,5-diamine Traditional Name: [5-amino-6-(p-tolylthio)pyrimidin-4-yl]-(4-pyridyl)amine Formula: C16H15N5S MolecularWeight: 309.3888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2N)NC3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2N)NC3=CC=NC=C3

InChI

InChI=1S/C16H15N5S/c1-11-2-4-13(5-3-11)22-16-14(17)15(19-10-20-16)21-12-6-8-18-9-7-12/h2-10H,17H2,1H3,(H,18,19,20,21)