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

Systemtic Name: actinium; [4-[4-(3-azanidylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]azanide Openeye Name: actinium; [4-[4-(3-azanidylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]azanide CAS Name: actinium; [4-[[4-(3-azanidylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]azanide IUPAC Name: actinium; [4-[4-(3-azanidylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]azanide Traditional Name: actinium; [4-[[4-(3-amidylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]azanide Formula: C20H17Ac2N7S-2 MolecularWeight: 841.516374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC(=C2)C3=CC(=CC=C3)[NH-])SC4=CC=C(C=C4)[NH-].[Ac].[Ac]

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2)C3=CC(=CC=C3)[NH-])SC4=CC=C(C=C4)[NH-].[Ac].[Ac]

InChI

InChI=1S/C20H17N7S.2Ac/c1-12-9-19(27-26-12)24-18-11-17(13-3-2-4-15(22)10-13)23-20(25-18)28-16-7-5-14(21)6-8-16;;/h2-11,21-22H,1H3,(H2,23,24,25,26,27);;/q-2;;