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

Systemtic Name: actinium; [5-[4-(2-dimethylaminoethyloxymethyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylpyridin-2-yl]azanide Openeye Name: actinium; [5-[4-(2-dimethylaminoethyloxymethyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-2-pyridyl]azanide CAS Name: actinium; [5-[[4-(2-dimethylaminoethyloxymethyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]-2-pyridinyl]azanide IUPAC Name: actinium; [5-[4-(2-dimethylaminoethyloxymethyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylpyridin-2-yl]azanide Traditional Name: actinium; [5-[[4-(2-dimethylaminoethyloxymethyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]-2-pyridyl]azanide Formula: C18H23AcN8OS- MolecularWeight: 626.520967

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC(=C2)COCCN(C)C)SC3=CN=C(C=C3)[NH-].[Ac]

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2)COCCN(C)C)SC3=CN=C(C=C3)[NH-].[Ac]

InChI

InChI=1S/C18H23N8OS.Ac/c1-12-8-17(25-24-12)22-16-9-13(11-27-7-6-26(2)3)21-18(23-16)28-14-4-5-15(19)20-10-14;/h4-5,8-10H,6-7,11H2,1-3H3,(H3-,19,20,21,22,23,24,25);/q-1;