1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-[4-(phenylmethyl)piperazin-1-yl]phosphoryl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

Systemtic Name: 1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-[4-(phenylmethyl)piperazin-1-yl]phosphoryl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 1-[(2R,4S,5R)-5-[[(4-benzylpiperazin-1-yl)-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione CAS Name: 1-[(2R,4S,5R)-4-hydroxy-5-[[[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]oxy-[4-(phenylmethyl)-1-piperazinyl]phosphoryl]oxymethyl]-2-oxolanyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 1-[(2R,4S,5R)-5-[[(4-benzylpiperazin-1-yl)-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione Traditional Name: 1-[(2R,4S,5R)-5-[[(4-benzylpiperazino)-[(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl]oxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone Formula: C31H41N6O11P MolecularWeight: 704.664601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(N3CCN(CC3)CC4=CC=CC=C4)OC5CC(OC5CO)N6C=C(C(=O)NC6=O)C)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N3CCN(CC3)CC4=CC=CC=C4)O[C@H]5C[C@@H](O[C@@H]5CO)N6C=C(C(=O)NC6=O)C)O

InChI

InChI=1S/C31H41N6O11P/c1-19-14-36(30(42)32-28(19)40)26-12-22(39)25(47-26)18-45-49(44,35-10-8-34(9-11-35)16-21-6-4-3-5-7-21)48-23-13-27(46-24(23)17-38)37-15-20(2)29(41)33-31(37)43/h3-7,14-15,22-27,38-39H,8-13,16-18H2,1-2H3,(H,32,40,42)(H,33,41,43)/t22-,23-,24+,25+,26+,27+,49?/m0/s1