[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-N-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]phosphonamidic acid

Systemtic Name: [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-N-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]phosphonamidic acid Openeye Name: [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-N-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]phosphonamidic acid CAS Name: [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]phosphonamidic acid IUPAC Name: [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]phosphonamidic acid Traditional Name: [[[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-N-[4-[2-chloroethyl(methyl)amino]benzyl]phosphonamidic acid Formula: C20H29ClN7O12P3 MolecularWeight: 687.858243

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCl)C1=CC=C(C=C1)CNP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

Isomeric SMILES

CN(CCCl)C1=CC=C(C=C1)CNP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O

InChI

InChI=1S/C20H29ClN7O12P3/c1-27(7-6-21)13-4-2-12(3-5-13)8-26-41(31,32)39-43(35,36)40-42(33,34)37-9-14-16(29)17(30)20(38-14)28-11-25-15-18(22)23-10-24-19(15)28/h2-5,10-11,14,16-17,20,29-30H,6-9H2,1H3,(H,33,34)(H,35,36)(H2,22,23,24)(H2,26,31,32)/t14-,16-,17-,20-/m1/s1