ethyl (2E)-2-[3-aminocarbonyl-1-[(2S,3S,4R,5S)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyridin-4-ylidene]ethanoate

Systemtic Name: ethyl (2E)-2-[3-aminocarbonyl-1-[(2S,3S,4R,5S)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyridin-4-ylidene]ethanoate Openeye Name: ethyl (2E)-2-[1-[(2S,3S,4R,5S)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-3-carbamoyl-4-pyridylidene]acetate CAS Name: (2E)-2-[1-[(2S,3S,4R,5S)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxy-2-oxolanyl]-3-carbamoyl-4-pyridinylidene]acetic acid ethyl ester IUPAC Name: ethyl (2E)-2-[1-[(2S,3S,4R,5S)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]-3-carbamoylpyridin-4-ylidene]acetate Traditional Name: (2E)-2-[1-[(2S,3S,4R,5S)-5-[[[[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-3-carbamoyl-4-pyridylidene]acetic acid ethyl ester Formula: C25H33N7O16P2 MolecularWeight: 749.514342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)O)O

Isomeric SMILES

CCOC(=O)/C=C/1\C=CN(C=C1C(=O)N)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O)O)O

InChI

InChI=1S/C25H33N7O16P2/c1-2-43-15(33)5-11-3-4-31(6-12(11)22(27)38)24-19(36)17(34)13(46-24)7-44-49(39,40)48-50(41,42)45-8-14-18(35)20(37)25(47-14)32-10-30-16-21(26)28-9-29-23(16)32/h3-6,9-10,13-14,17-20,24-25,34-37H,2,7-8H2,1H3,(H2,27,38)(H,39,40)(H,41,42)(H2,26,28,29)/b11-5+/t13-,14+,17-,18+,19-,20+,24-,25+/m0/s1