N-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]-[[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-phosphonamidic acid

Systemtic Name: N-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]-[[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-phosphonamidic acid Openeye Name: N-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]-[hydroxy-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]oxy-phosphoryl]oxy-phosphonamidic acid CAS Name: N-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]-[hydroxy-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphonamidic acid IUPAC Name: N-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]-[hydroxy-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphonamidic acid Traditional Name: N-[4-[2-chloroethyl(methyl)amino]benzyl]-[[[(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-phosphonamidic acid Formula: C20H30ClN4O13P3 MolecularWeight: 662.845483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(NCC3=CC=C(C=C3)N(C)CCCl)O)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(NCC3=CC=C(C=C3)N(C)CCCl)O)O

InChI

InChI=1S/C20H30ClN4O13P3/c1-13-11-25(20(28)23-19(13)27)18-9-16(26)17(36-18)12-35-40(31,32)38-41(33,34)37-39(29,30)22-10-14-3-5-15(6-4-14)24(2)8-7-21/h3-6,11,16-18,26H,7-10,12H2,1-2H3,(H,31,32)(H,33,34)(H2,22,29,30)(H,23,27,28)/t16-,17+,18+/m0/s1