N,N-dimethyl-2-(4-pyrimidin-4-ylphenyl)sulfanyl-ethanamine

Systemtic Name: N,N-dimethyl-2-(4-pyrimidin-4-ylphenyl)sulfanyl-ethanamine Openeye Name: N,N-dimethyl-2-(4-pyrimidin-4-ylphenyl)sulfanyl-ethanamine CAS Name: N,N-dimethyl-2-[[4-(4-pyrimidinyl)phenyl]thio]ethanamine IUPAC Name: N,N-dimethyl-2-(4-pyrimidin-4-ylphenyl)sulfanylethanamine Traditional Name: dimethyl-[2-[[4-(4-pyrimidyl)phenyl]thio]ethyl]amine Formula: C14H17N3S MolecularWeight: 259.36988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=CC=C(C=C1)C2=NC=NC=C2

Isomeric SMILES

CN(C)CCSC1=CC=C(C=C1)C2=NC=NC=C2

InChI

InChI=1S/C14H17N3S/c1-17(2)9-10-18-13-5-3-12(4-6-13)14-7-8-15-11-16-14/h3-8,11H,9-10H2,1-2H3