[(2S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl 2-cyanoethyl [(2R,5S)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl phosphate

Systemtic Name: [(2S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl 2-cyanoethyl [(2R,5S)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl phosphate Openeye Name: [(2S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 2-cyanoethyl [(2R,5S)-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl phosphate CAS Name: phosphoric acid [(2S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl 2-cyanoethyl [(2R,5S)-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [(2S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-cyanoethyl [(2R,5S)-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl phosphate Traditional Name: phosphoric acid [(2S,5R)-3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 2-cyanoethyl [(2R,5S)-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C23H27N10O9P MolecularWeight: 618.495841

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(OCCC#N)OCC3CCC(O3)N4C=NC5=C4NC=NC5=O)N=[N+]=[N-]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2CC([C@H](O2)COP(=O)(OCCC#N)OC[C@H]3CC[C@H](O3)N4C=NC5=C4NC=NC5=O)N=[N+]=[N-]

InChI

InChI=1S/C23H27N10O9P/c1-13-8-32(23(36)29-21(13)34)18-7-15(30-31-25)16(42-18)10-40-43(37,38-6-2-5-24)39-9-14-3-4-17(41-14)33-12-28-19-20(33)26-11-27-22(19)35/h8,11-12,14-18H,2-4,6-7,9-10H2,1H3,(H,26,27,35)(H,29,34,36)/t14-,15?,16-,17+,18-,43?/m1/s1