2-[(4-azanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-phenyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[(4-azanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-phenyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[(4-amino-6-morpholino-1,3,5-triazin-2-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-phenyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-[[4-amino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]methylthio]-4-(4-methoxyphenyl)-6-phenyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-phenylpyridin-1-ium-3-carbonitrile Traditional Name: 2-[(4-amino-6-morpholino-s-triazin-2-yl)methylthio]-4-(4-methoxyphenyl)-6-phenyl-pyridin-1-ium-3-carbonitrile Formula: C27H26N7O2S+ MolecularWeight: 512.60604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=[NH+]C(=C2C#N)SCC3=NC(=NC(=N3)N)N4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=[NH+]C(=C2C#N)SCC3=NC(=NC(=N3)N)N4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H25N7O2S/c1-35-20-9-7-18(8-10-20)21-15-23(19-5-3-2-4-6-19)30-25(22(21)16-28)37-17-24-31-26(29)33-27(32-24)34-11-13-36-14-12-34/h2-10,15H,11-14,17H2,1H3,(H2,29,31,32,33)/p+1