3-[[3-[6-(dimethylamino)hexyl]-4-oxidanylidene-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1,3-diazinan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[3-[6-(dimethylamino)hexyl]-4-oxidanylidene-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1,3-diazinan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[3-[6-(dimethylamino)hexyl]-4-oxo-6-(5-phenyl-1H-imidazol-2-yl)-2-thioxo-hexahydropyrimidin-1-yl]methyl]benzonitrile CAS Name: 3-[[3-[6-(dimethylamino)hexyl]-4-oxo-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1,3-diazinan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[3-[6-(dimethylamino)hexyl]-4-oxo-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1,3-diazinan-1-yl]methyl]benzonitrile Traditional Name: 3-[[3-[6-(dimethylamino)hexyl]-4-keto-6-(5-phenyl-1H-imidazol-2-yl)-2-thioxo-hexahydropyrimidin-1-yl]methyl]benzonitrile Formula: C29H34N6OS MolecularWeight: 514.68486

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCCCN1C(=O)CC(N(C1=S)CC2=CC=CC(=C2)C#N)C3=NC=C(N3)C4=CC=CC=C4

Isomeric SMILES

CN(C)CCCCCCN1C(=O)CC(N(C1=S)CC2=CC=CC(=C2)C#N)C3=NC=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C29H34N6OS/c1-33(2)15-8-3-4-9-16-34-27(36)18-26(28-31-20-25(32-28)24-13-6-5-7-14-24)35(29(34)37)21-23-12-10-11-22(17-23)19-30/h5-7,10-14,17,20,26H,3-4,8-9,15-16,18,21H2,1-2H3,(H,31,32)