actinium; [4-[4-(4-butoxyphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]azanide

Systemtic Name: actinium; [4-[4-(4-butoxyphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]azanide Openeye Name: actinium; [4-[4-(4-butoxyphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]azanide CAS Name: actinium; [4-[[4-(4-butoxyphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]azanide IUPAC Name: actinium; [4-[4-(4-butoxyphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]azanide Traditional Name: actinium; [4-[[4-(4-butoxyphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]azanide Formula: C24H25AcN6OS- MolecularWeight: 672.587647

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CC(=NC(=N2)SC3=CC=C(C=C3)[NH-])NC4=NNC(=C4)C.[Ac]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CC(=NC(=N2)SC3=CC=C(C=C3)[NH-])NC4=NNC(=C4)C.[Ac]

InChI

InChI=1S/C24H25N6OS.Ac/c1-3-4-13-31-19-9-5-17(6-10-19)21-15-22(27-23-14-16(2)29-30-23)28-24(26-21)32-20-11-7-18(25)8-12-20;/h5-12,14-15,25H,3-4,13H2,1-2H3,(H2,26,27,28,29,30);/q-1;