[N'-methyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidoyl]phosphonic acid

Systemtic Name: [N'-methyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidoyl]phosphonic acid Openeye Name: [N'-methyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidoyl]phosphonic acid CAS Name: [[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-methyliminomethyl]phosphonic acid IUPAC Name: [N'-methyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidoyl]phosphonic acid Traditional Name: [N'-methyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]amidino]phosphonic acid Formula: C9H17N4O3PS MolecularWeight: 292.295041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC(=NC)P(=O)(O)O

Isomeric SMILES

CC1=C(N=CN1)CSCCNC(=NC)P(=O)(O)O

InChI

InChI=1S/C9H17N4O3PS/c1-7-8(13-6-12-7)5-18-4-3-11-9(10-2)17(14,15)16/h6H,3-5H2,1-2H3,(H,10,11)(H,12,13)(H2,14,15,16)