actinium; [4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(oxidanylamino)quinazolin-2-yl]sulfanylphenyl]azanide

Systemtic Name: actinium; [4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(oxidanylamino)quinazolin-2-yl]sulfanylphenyl]azanide Openeye Name: actinium; [4-[7-(hydroxyamino)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]azanide CAS Name: actinium; [4-[[7-(hydroxyamino)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl]thio]phenyl]azanide IUPAC Name: actinium; [4-[7-(hydroxyamino)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]azanide Traditional Name: actinium; [4-[[7-(hydroxyamino)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]thio]phenyl]azanide Formula: C18H16AcN7OS- MolecularWeight: 605.458687

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC3=C2C=CC(=C3)NO)SC4=CC=C(C=C4)[NH-].[Ac]

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC3=C2C=CC(=C3)NO)SC4=CC=C(C=C4)[NH-].[Ac]

InChI

InChI=1S/C18H16N7OS.Ac/c1-10-8-16(24-23-10)21-17-14-7-4-12(25-26)9-15(14)20-18(22-17)27-13-5-2-11(19)3-6-13;/h2-9,19,25-26H,1H3,(H2,20,21,22,23,24);/q-1;