N-[[2,3-bis(chloranyl)phenyl]methyl]-3-pyrimidin-2-ylsulfanyl-propan-1-amine hydrochloride

Systemtic Name: N-[[2,3-bis(chloranyl)phenyl]methyl]-3-pyrimidin-2-ylsulfanyl-propan-1-amine hydrochloride Openeye Name: N-[(2,3-dichlorophenyl)methyl]-3-pyrimidin-2-ylsulfanyl-propan-1-amine hydrochloride CAS Name: N-[(2,3-dichlorophenyl)methyl]-3-(2-pyrimidinylthio)-1-propanamine hydrochloride IUPAC Name: N-[(2,3-dichlorophenyl)methyl]-3-pyrimidin-2-ylsulfanylpropan-1-amine hydrochloride Traditional Name: (2,3-dichlorobenzyl)-[3-(2-pyrimidylthio)propyl]amine hydrochloride Formula: C14H16Cl3N3S MolecularWeight: 364.72094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)Cl)CNCCCSC2=NC=CC=N2.Cl

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)Cl)CNCCCSC2=NC=CC=N2.Cl

InChI

InChI=1S/C14H15Cl2N3S.ClH/c15-12-5-1-4-11(13(12)16)10-17-6-3-9-20-14-18-7-2-8-19-14;/h1-2,4-5,7-8,17H,3,6,9-10H2;1H