N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylsulfanyl-pyrimidin-5-yl]methyl]-N',N'-diethyl-propane-1,3-diamine

Systemtic Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylsulfanyl-pyrimidin-5-yl]methyl]-N',N'-diethyl-propane-1,3-diamine Openeye Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylsulfanyl-pyrimidin-5-yl]methyl]-N',N'-diethyl-propane-1,3-diamine CAS Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylthio)-5-pyrimidinyl]methyl]-N',N'-diethylpropane-1,3-diamine IUPAC Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylsulfanylpyrimidin-5-yl]methyl]-N',N'-diethylpropane-1,3-diamine Traditional Name: 3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylthio)pyrimidin-5-yl]methylamino]propyl-diethyl-amine Formula: C22H33N5S MolecularWeight: 399.59592

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNCC1=CN=C(N=C1N2CCC3=CC=CC=C3C2)SC

Isomeric SMILES

CCN(CC)CCCNCC1=CN=C(N=C1N2CCC3=CC=CC=C3C2)SC

InChI

InChI=1S/C22H33N5S/c1-4-26(5-2)13-8-12-23-15-20-16-24-22(28-3)25-21(20)27-14-11-18-9-6-7-10-19(18)17-27/h6-7,9-10,16,23H,4-5,8,11-15,17H2,1-3H3