1-[(2S,4R,5R)-4-azido-5-[[[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-methyl-phosphoryl]oxymethyl]oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

Systemtic Name: 1-[(2S,4R,5R)-4-azido-5-[[[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-methyl-phosphoryl]oxymethyl]oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 1-[(2S,4R,5R)-4-azido-5-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-methyl-phosphoryl]oxymethyl]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione CAS Name: 1-[(2S,4R,5R)-4-azido-5-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-methylphosphoryl]oxymethyl]-2-oxolanyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 1-[(2S,4R,5R)-4-azido-5-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione Traditional Name: 1-[(2S,4R,5R)-4-azido-5-[[[(2S,3S,5R)-3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-methyl-phosphoryl]oxymethyl]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone Formula: C21H27N10O9P MolecularWeight: 594.474441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(C)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)N=[N+]=[N-])N=[N+]=[N-]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(C)OC[C@H]3[C@@H](C[C@H](O3)N4C=C(C(=O)NC4=O)C)N=[N+]=[N-])N=[N+]=[N-]

InChI

InChI=1S/C21H27N10O9P/c1-10-6-30(20(34)24-18(10)32)16-4-12(26-28-22)14(39-16)8-37-41(3,36)38-9-15-13(27-29-23)5-17(40-15)31-7-11(2)19(33)25-21(31)35/h6-7,12-17H,4-5,8-9H2,1-3H3,(H,24,32,34)(H,25,33,35)/t12-,13+,14+,15-,16+,17-,41?