actinium; 1-cyano-3-(2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-2-(phenylmethyl)guanidine

Systemtic Name: actinium; 1-cyano-3-(2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-2-(phenylmethyl)guanidine Openeye Name: actinium; 2-benzyl-1-cyano-3-(3-hydroxy-2,2-dimethyl-chroman-4-yl)guanidine CAS Name: actinium; 1-cyano-3-(3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-2-(phenylmethyl)guanidine IUPAC Name: actinium; 2-benzyl-1-cyano-3-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)guanidine Traditional Name: actinium; 2-benzyl-1-cyano-3-(3-hydroxy-2,2-dimethyl-chroman-4-yl)guanidine Formula: C20H22AcN4O2 MolecularWeight: 577.442027

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=CC=CC=C2O1)NC(=NCC3=CC=CC=C3)NC#N)O)C.[Ac]

Isomeric SMILES

CC1(C(C(C2=CC=CC=C2O1)NC(=NCC3=CC=CC=C3)NC#N)O)C.[Ac]

InChI

InChI=1S/C20H22N4O2.Ac/c1-20(2)18(25)17(15-10-6-7-11-16(15)26-20)24-19(23-13-21)22-12-14-8-4-3-5-9-14;/h3-11,17-18,25H,12H2,1-2H3,(H2,22,23,24);