[(4S)-6-[[2-(aminocarbonylamino)-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-5-yl]-methyl-amino]-4-azaniumyl-6-oxidanylidene-hexyl]-[bis(azanyl)methylidene]azanium dichloride

Systemtic Name: [(4S)-6-[[2-(aminocarbonylamino)-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-5-yl]-methyl-amino]-4-azaniumyl-6-oxidanylidene-hexyl]-[bis(azanyl)methylidene]azanium dichloride Openeye Name: [(4S)-4-azaniumyl-6-[methyl-(6-oxo-2-ureido-4,5-dihydro-1H-pyrimidin-5-yl)amino]-6-oxo-hexyl]-(diaminomethylene)ammonium dichloride CAS Name: [(4S)-4-ammonio-6-[[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-methylamino]-6-oxohexyl]-(diaminomethylidene)ammonium dichloride IUPAC Name: [(4S)-4-azaniumyl-6-[[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-methylamino]-6-oxohexyl]-(diaminomethylidene)azanium dichloride Traditional Name: [(4S)-4-ammonio-6-keto-6-[(6-keto-2-ureido-4,5-dihydro-1H-pyrimidin-5-yl)-methyl-amino]hexyl]-(diaminomethylene)ammonium dichloride Formula: C13H27Cl2N9O3 MolecularWeight: 428.31798

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CN=C(NC1=O)NC(=O)N)C(=O)CC(CCC[NH+]=C(N)N)[NH3+].[Cl-].[Cl-]

Isomeric SMILES

CN(C1CN=C(NC1=O)NC(=O)N)C(=O)C[C@H](CCC[NH+]=C(N)N)[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C13H25N9O3.2ClH/c1-22(8-6-19-13(20-10(8)24)21-12(17)25)9(23)5-7(14)3-2-4-18-11(15)16;;/h7-8H,2-6,14H2,1H3,(H4,15,16,18)(H4,17,19,20,21,24,25);2*1H/t7-,8?;;/m0../s1