4-azanyl-1-[(2R,3R,4S,5R)-5-[[(2S,3S,4R,5S,6R)-3-azido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[(2R,3R,4S,5R)-5-[[(2S,3S,4R,5S,6R)-3-azido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidin-2-one Openeye Name: 4-amino-1-[(2R,3R,4S,5R)-5-[[(2S,3S,4R,5S,6R)-3-azido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]pyrimidin-2-one CAS Name: 4-amino-1-[(2R,3R,4S,5R)-5-[[(2S,3S,4R,5S,6R)-3-azido-4-hydroxy-6-(hydroxymethyl)-5-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxymethyl]-3,4-dihydroxy-2-oxolanyl]-2-pyrimidinone IUPAC Name: 4-amino-1-[(2R,3R,4S,5R)-5-[[(2S,3S,4R,5S,6R)-3-azido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one Traditional Name: 4-amino-1-[(2R,3R,4S,5R)-5-[[(2S,3S,4R,5S,6R)-3-azido-4-hydroxy-6-methylol-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]pyrimidin-2-one Formula: C21H32N6O14 MolecularWeight: 592.51058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1N)C2C(C(C(O2)COC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)N=[N+]=[N-])O)O

Isomeric SMILES

C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)N=[N+]=[N-])O)O

InChI

InChI=1S/C21H32N6O14/c22-9-1-2-27(21(36)24-9)18-15(34)12(31)8(38-18)5-37-19-10(25-26-23)13(32)17(7(4-29)40-19)41-20-16(35)14(33)11(30)6(3-28)39-20/h1-2,6-8,10-20,28-35H,3-5H2,(H2,22,24,36)/t6-,7-,8-,10+,11+,12-,13-,14+,15-,16-,17-,18-,19+,20+/m1/s1