2-[2-[[5-[(6-methylpyridin-3-yl)methyl]-6-oxidanylidene-1H-pyrimidin-2-yl]amino]ethylsulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[2-[[5-[(6-methylpyridin-3-yl)methyl]-6-oxidanylidene-1H-pyrimidin-2-yl]amino]ethylsulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[2-[[5-[(6-methyl-3-pyridyl)methyl]-6-oxo-1H-pyrimidin-2-yl]amino]ethylsulfanylmethyl]benzonitrile CAS Name: 2-[[2-[[5-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyrimidin-2-yl]amino]ethylthio]methyl]benzonitrile IUPAC Name: 2-[2-[[5-[(6-methylpyridin-3-yl)methyl]-6-oxo-1H-pyrimidin-2-yl]amino]ethylsulfanylmethyl]benzonitrile Traditional Name: 2-[[2-[[6-keto-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-2-yl]amino]ethylthio]methyl]benzonitrile Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H21N5OS/c1-15-6-7-16(12-24-15)10-19-13-25-21(26-20(19)27)23-8-9-28-14-18-5-3-2-4-17(18)11-22/h2-7,12-13H,8-10,14H2,1H3,(H2,23,25,26,27)