N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylsulfanyl-pyrimidin-5-yl]methyl]heptan-4-amine

Systemtic Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylsulfanyl-pyrimidin-5-yl]methyl]heptan-4-amine Openeye Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylsulfanyl-pyrimidin-5-yl]methyl]heptan-4-amine CAS Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylthio)-5-pyrimidinyl]methyl]-4-heptanamine IUPAC Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylsulfanylpyrimidin-5-yl]methyl]heptan-4-amine Traditional Name: [4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylthio)pyrimidin-5-yl]methyl-(1-propylbutyl)amine Formula: C22H32N4S MolecularWeight: 384.58128

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NCC1=CN=C(N=C1N2CCC3=CC=CC=C3C2)SC

Isomeric SMILES

CCCC(CCC)NCC1=CN=C(N=C1N2CCC3=CC=CC=C3C2)SC

InChI

InChI=1S/C22H32N4S/c1-4-8-20(9-5-2)23-14-19-15-24-22(27-3)25-21(19)26-13-12-17-10-6-7-11-18(17)16-26/h6-7,10-11,15,20,23H,4-5,8-9,12-14,16H2,1-3H3