N-[(2,4-dimethoxyphenyl)methyl]-3-pyrimidin-2-ylsulfanyl-propan-1-amine

Systemtic Name: N-[(2,4-dimethoxyphenyl)methyl]-3-pyrimidin-2-ylsulfanyl-propan-1-amine Openeye Name: N-[(2,4-dimethoxyphenyl)methyl]-3-pyrimidin-2-ylsulfanyl-propan-1-amine CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-3-(2-pyrimidinylthio)-1-propanamine IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-pyrimidin-2-ylsulfanylpropan-1-amine Traditional Name: (2,4-dimethoxybenzyl)-[3-(2-pyrimidylthio)propyl]amine Formula: C16H21N3O2S MolecularWeight: 319.42184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNCCCSC2=NC=CC=N2)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNCCCSC2=NC=CC=N2)OC

InChI

InChI=1S/C16H21N3O2S/c1-20-14-6-5-13(15(11-14)21-2)12-17-7-4-10-22-16-18-8-3-9-19-16/h3,5-6,8-9,11,17H,4,7,10,12H2,1-2H3