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

Systemtic Name: 6-(4-chlorophenyl)sulfanyl-N4-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine Openeye Name: 6-(4-chlorophenyl)sulfanyl-N4-(3-pyridylmethyl)pyrimidine-4,5-diamine CAS Name: 6-[(4-chlorophenyl)thio]-N4-(3-pyridinylmethyl)pyrimidine-4,5-diamine IUPAC Name: 6-(4-chlorophenyl)sulfanyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[(4-chlorophenyl)thio]pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C16H14ClN5S MolecularWeight: 343.83386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)N

Isomeric SMILES

C1=CC(=CN=C1)CNC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C16H14ClN5S/c17-12-3-5-13(6-4-12)23-16-14(18)15(21-10-22-16)20-9-11-2-1-7-19-8-11/h1-8,10H,9,18H2,(H,20,21,22)