actinium; [4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-methyl-quinazolin-2-yl]sulfanylphenyl]azanide

Systemtic Name: actinium; [4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-methyl-quinazolin-2-yl]sulfanylphenyl]azanide Openeye Name: actinium; [4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-methyl-quinazolin-2-yl]sulfanylphenyl]azanide CAS Name: actinium; [4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-methyl-2-quinazolinyl]thio]phenyl]azanide IUPAC Name: actinium; [4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-methylquinazolin-2-yl]sulfanylphenyl]azanide Traditional Name: actinium; [4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-methyl-quinazolin-2-yl]thio]phenyl]azanide Formula: C21H19AcN6S- MolecularWeight: 614.508507

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(N=C2NC3=NNC(=C3)C4CC4)SC5=CC=C(C=C5)[NH-].[Ac]

Isomeric SMILES

CC1=CC=CC2=C1N=C(N=C2NC3=NNC(=C3)C4CC4)SC5=CC=C(C=C5)[NH-].[Ac]

InChI

InChI=1S/C21H19N6S.Ac/c1-12-3-2-4-16-19(12)24-21(28-15-9-7-14(22)8-10-15)25-20(16)23-18-11-17(26-27-18)13-5-6-13;/h2-4,7-11,13,22H,5-6H2,1H3,(H2,23,24,25,26,27);/q-1;