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

Systemtic Name: actinium; [4-[4-butoxy-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]azanide Openeye Name: actinium; [4-[4-butoxy-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]azanide CAS Name: actinium; [4-[[4-butoxy-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]azanide IUPAC Name: actinium; [4-[4-butoxy-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]azanide Traditional Name: actinium; [4-[[4-butoxy-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]azanide Formula: C18H21AcN6OS- MolecularWeight: 596.491687

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC(=NC(=C1)NC2=NNC(=C2)C)SC3=CC=C(C=C3)[NH-].[Ac]

Isomeric SMILES

CCCCOC1=NC(=NC(=C1)NC2=NNC(=C2)C)SC3=CC=C(C=C3)[NH-].[Ac]

InChI

InChI=1S/C18H21N6OS.Ac/c1-3-4-9-25-17-11-15(20-16-10-12(2)23-24-16)21-18(22-17)26-14-7-5-13(19)6-8-14;/h5-8,10-11,19H,3-4,9H2,1-2H3,(H2,20,21,22,23,24);/q-1;