N-[(4-propan-2-ylphenyl)methyl]-3-pyrimidin-2-ylsulfanyl-propan-1-amine hydrochloride

Systemtic Name: N-[(4-propan-2-ylphenyl)methyl]-3-pyrimidin-2-ylsulfanyl-propan-1-amine hydrochloride Openeye Name: N-[(4-isopropylphenyl)methyl]-3-pyrimidin-2-ylsulfanyl-propan-1-amine hydrochloride CAS Name: N-[(4-propan-2-ylphenyl)methyl]-3-(2-pyrimidinylthio)-1-propanamine hydrochloride IUPAC Name: N-[(4-propan-2-ylphenyl)methyl]-3-pyrimidin-2-ylsulfanylpropan-1-amine hydrochloride Traditional Name: (4-isopropylbenzyl)-[3-(2-pyrimidylthio)propyl]amine hydrochloride Formula: C17H24ClN3S MolecularWeight: 337.91056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3S.ClH/c1-14(2)16-7-5-15(6-8-16)13-18-9-4-12-21-17-19-10-3-11-20-17;/h3,5-8,10-11,14,18H,4,9,12-13H2,1-2H3;1H