N-[(3-ethoxyphenyl)methyl]-3-pyrimidin-2-ylsulfanyl-propan-1-amine

Systemtic Name: N-[(3-ethoxyphenyl)methyl]-3-pyrimidin-2-ylsulfanyl-propan-1-amine Openeye Name: N-[(3-ethoxyphenyl)methyl]-3-pyrimidin-2-ylsulfanyl-propan-1-amine CAS Name: N-[(3-ethoxyphenyl)methyl]-3-(2-pyrimidinylthio)-1-propanamine IUPAC Name: N-[(3-ethoxyphenyl)methyl]-3-pyrimidin-2-ylsulfanylpropan-1-amine Traditional Name: (3-ethoxybenzyl)-[3-(2-pyrimidylthio)propyl]amine Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CNCCCSC2=NC=CC=N2

Isomeric SMILES

CCOC1=CC=CC(=C1)CNCCCSC2=NC=CC=N2

InChI

InChI=1S/C16H21N3OS/c1-2-20-15-7-3-6-14(12-15)13-17-8-5-11-21-16-18-9-4-10-19-16/h3-4,6-7,9-10,12,17H,2,5,8,11,13H2,1H3