zinc; 3-carboxy-3-oxidanyl-pentanedioate; 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine

Systemtic Name: zinc; 3-carboxy-3-oxidanyl-pentanedioate; 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine Openeye Name: zinc; 3-carboxy-3-hydroxy-pentanedioate; 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine CAS Name: zinc; 3-carboxy-3-hydroxypentanedioate; 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine IUPAC Name: zinc; 3-carboxy-3-hydroxypentanedioate; 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine Traditional Name: zinc; 3-carboxy-3-hydroxy-glutarate; 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine Formula: C16H22N6O7SZn MolecularWeight: 507.85588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC(=NC)NC#N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)O)O.[Zn+2]

Isomeric SMILES

CC1=C(N=CN1)CSCCNC(=NC)NC#N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)O)O.[Zn+2]

InChI

InChI=1S/C10H16N6S.C6H8O7.Zn/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11;7-3(8)1-6(13,5(11)12)2-4(9)10;/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;;+2/p-2