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

Systemtic Name: actinium; [4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(1-methylpiperidin-4-yl)oxy-pyrimidin-4-yl]sulfanylphenyl]azanide Openeye Name: actinium; [4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(1-methyl-4-piperidyl)oxy]pyrimidin-4-yl]sulfanylphenyl]azanide CAS Name: actinium; [4-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(1-methyl-4-piperidinyl)oxy]-4-pyrimidinyl]thio]phenyl]azanide IUPAC Name: actinium; [4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]sulfanylphenyl]azanide Traditional Name: actinium; [4-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(1-methyl-4-piperidyl)oxy]pyrimidin-4-yl]thio]phenyl]azanide Formula: C22H26AcN7OS- MolecularWeight: 663.580887

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)OC2=CC(=NC(=N2)NC3=NNC(=C3)C4CC4)SC5=CC=C(C=C5)[NH-].[Ac]

Isomeric SMILES

CN1CCC(CC1)OC2=CC(=NC(=N2)NC3=NNC(=C3)C4CC4)SC5=CC=C(C=C5)[NH-].[Ac]

InChI

InChI=1S/C22H26N7OS.Ac/c1-29-10-8-16(9-11-29)30-20-13-21(31-17-6-4-15(23)5-7-17)26-22(25-20)24-19-12-18(27-28-19)14-2-3-14;/h4-7,12-14,16,23H,2-3,8-11H2,1H3,(H2,24,25,26,27,28);/q-1;