6-(4-methylphenyl)sulfanyl-N4-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine

Systemtic Name: 6-(4-methylphenyl)sulfanyl-N4-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine Openeye Name: 6-(p-tolylsulfanyl)-N4-(3-pyridylmethyl)pyrimidine-4,5-diamine CAS Name: 6-[(4-methylphenyl)thio]-N4-(3-pyridinylmethyl)pyrimidine-4,5-diamine IUPAC Name: 6-(4-methylphenyl)sulfanyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(p-tolylthio)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C17H17N5S MolecularWeight: 323.41538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2N)NCC3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2N)NCC3=CN=CC=C3

InChI

InChI=1S/C17H17N5S/c1-12-4-6-14(7-5-12)23-17-15(18)16(21-11-22-17)20-10-13-3-2-8-19-9-13/h2-9,11H,10,18H2,1H3,(H,20,21,22)