N-[2-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-imidazol-4-yl]-4-[2-[bis(azanyl)methylideneamino]ethanoylamino]-1-methyl-imidazole-2-carboxamide sulfate

Systemtic Name: N-[2-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-imidazol-4-yl]-4-[2-[bis(azanyl)methylideneamino]ethanoylamino]-1-methyl-imidazole-2-carboxamide sulfate Openeye Name: N-[2-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-imidazol-4-yl]-4-[(2-guanidinoacetyl)amino]-1-methyl-imidazole-2-carboxamide sulfate CAS Name: N-[2-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-4-imidazolyl]-4-[[2-(diaminomethylideneamino)-1-oxoethyl]amino]-1-methyl-2-imidazolecarboxamide sulfate IUPAC Name: N-[2-[(3-amino-3-iminopropyl)carbamoyl]-1-methylimidazol-4-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylimidazole-2-carboxamide sulfate Traditional Name: N-[2-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-imidazol-4-yl]-4-[(2-guanidinoacetyl)amino]-1-methyl-imidazole-2-carboxamide sulfate Formula: C16H24N12O7S-2 MolecularWeight: 528.50296

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1C(=O)NC2=CN(C(=N2)C(=O)NCCC(=N)N)C)NC(=O)CN=C(N)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CN1C=C(N=C1C(=O)NC2=CN(C(=N2)C(=O)NCCC(=N)N)C)NC(=O)CN=C(N)N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C16H24N12O3.H2O4S/c1-27-7-10(25-12(27)14(30)21-4-3-8(17)18)26-15(31)13-24-9(6-28(13)2)23-11(29)5-22-16(19)20;1-5(2,3)4/h6-7H,3-5H2,1-2H3,(H3,17,18)(H,21,30)(H,23,29)(H,26,31)(H4,19,20,22);(H2,1,2,3,4)/p-2