2-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole

Systemtic Name: 2-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole Openeye Name: 2-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(2-pyridyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole CAS Name: 2-[[2-(methylthio)-5-pyrimidinyl]methyl]-1-(2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole IUPAC Name: 2-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole Traditional Name: 2-[[2-(methylthio)pyrimidin-5-yl]methyl]-1-(2-pyridyl)-1,3,4,9-tetrahydro-$b-carboline Formula: C22H21N5S MolecularWeight: 387.50064

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)CN2CCC3=C(C2C4=CC=CC=N4)NC5=CC=CC=C35

Isomeric SMILES

CSC1=NC=C(C=N1)CN2CCC3=C(C2C4=CC=CC=N4)NC5=CC=CC=C35

InChI

InChI=1S/C22H21N5S/c1-28-22-24-12-15(13-25-22)14-27-11-9-17-16-6-2-3-7-18(16)26-20(17)21(27)19-8-4-5-10-23-19/h2-8,10,12-13,21,26H,9,11,14H2,1H3