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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2S/c1-20-14-6-5-13(11-15(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