5-chloranyl-6-ethyl-N-[2-(4-methylphenyl)-1,3-dithian-5-yl]pyrimidin-4-amine

Systemtic Name: 5-chloranyl-6-ethyl-N-[2-(4-methylphenyl)-1,3-dithian-5-yl]pyrimidin-4-amine Openeye Name: 5-chloro-6-ethyl-N-[2-(p-tolyl)-1,3-dithian-5-yl]pyrimidin-4-amine CAS Name: 5-chloro-6-ethyl-N-[2-(4-methylphenyl)-1,3-dithian-5-yl]-4-pyrimidinamine IUPAC Name: 5-chloro-6-ethyl-N-[2-(4-methylphenyl)-1,3-dithian-5-yl]pyrimidin-4-amine Traditional Name: (5-chloro-6-ethyl-pyrimidin-4-yl)-[2-(p-tolyl)-1,3-dithian-5-yl]amine Formula: C17H20ClN3S2 MolecularWeight: 365.9438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC=N1)NC2CSC(SC2)C3=CC=C(C=C3)C)Cl

Isomeric SMILES

CCC1=C(C(=NC=N1)NC2CSC(SC2)C3=CC=C(C=C3)C)Cl

InChI

InChI=1S/C17H20ClN3S2/c1-3-14-15(18)16(20-10-19-14)21-13-8-22-17(23-9-13)12-6-4-11(2)5-7-12/h4-7,10,13,17H,3,8-9H2,1-2H3,(H,19,20,21)