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

Systemtic Name: [(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl [(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl 2-cyanoethyl phosphate Openeye Name: [(2S,5R)-5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methyl [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 2-cyanoethyl phosphate CAS Name: phosphoric acid [(2S,5R)-5-(6-aminopurin-9-yl)-2-oxolanyl]methyl [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl 2-cyanoethyl ester IUPAC Name: [(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-cyanoethyl phosphate Traditional Name: phosphoric acid [(2S,5R)-5-adenin-9-yltetrahydrofuran-2-yl]methyl [(2S,3S,5R)-3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 2-cyanoethyl ester Formula: C23H28N11O8P MolecularWeight: 617.511081

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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=C4N=CN=C5N)N=[N+]=[N-]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OCCC#N)OC[C@@H]3CC[C@@H](O3)N4C=NC5=C4N=CN=C5N)N=[N+]=[N-]

InChI

InChI=1S/C23H28N11O8P/c1-13-8-33(23(36)30-22(13)35)18-7-15(31-32-26)16(42-18)10-40-43(37,38-6-2-5-24)39-9-14-3-4-17(41-14)34-12-29-19-20(25)27-11-28-21(19)34/h8,11-12,14-18H,2-4,6-7,9-10H2,1H3,(H2,25,27,28)(H,30,35,36)/t14-,15-,16+,17+,18+,43?/m0/s1