[6-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-(2-chloranylethanoylamino)-3,5-bis(oxidanyl)morpholin-2-yl]methyl phosphono hydrogen phosphate

Systemtic Name: [6-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-(2-chloranylethanoylamino)-3,5-bis(oxidanyl)morpholin-2-yl]methyl phosphono hydrogen phosphate Openeye Name: [6-(2-amino-6-oxo-3H-purin-9-yl)-4-[(2-chloroacetyl)amino]-3,5-dihydroxy-morpholin-2-yl]methyl phosphono hydrogen phosphate CAS Name: [6-(2-amino-6-oxo-3H-purin-9-yl)-4-[(2-chloro-1-oxoethyl)amino]-3,5-dihydroxy-2-morpholinyl]methyl phosphono hydrogen phosphate IUPAC Name: [6-(2-amino-6-oxo-3H-purin-9-yl)-4-[(2-chloroacetyl)amino]-3,5-dihydroxymorpholin-2-yl]methyl phosphono hydrogen phosphate Traditional Name: [6-(2-amino-6-keto-3H-purin-9-yl)-4-[(2-chloroacetyl)amino]-3,5-dihydroxy-morpholin-2-yl]methyl phosphono hydrogen phosphate Formula: C12H18ClN7O12P2 MolecularWeight: 549.711542

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(N(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)NC(=O)CCl)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1C3C(N(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)NC(=O)CCl)O)NC(=NC2=O)N

InChI

InChI=1S/C12H18ClN7O12P2/c13-1-5(21)18-20-9(23)4(2-30-34(28,29)32-33(25,26)27)31-11(10(20)24)19-3-15-6-7(19)16-12(14)17-8(6)22/h3-4,9-11,23-24H,1-2H2,(H,18,21)(H,28,29)(H2,25,26,27)(H3,14,16,17,22)