2-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-4-[(2S,3S,4R,5R,6S)-6-methyl-5-oxidanyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-4-[(2S,3S,4R,5R,6S)-6-methyl-5-oxidanyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2R,3R,4S,5R)-4-[(2S,3S,4R,5R,6S)-3,4-dibenzyloxy-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(2R,3R,4S,5R)-3-hydroxy-5-(hydroxymethyl)-4-[[(2S,3S,4R,5R,6S)-5-hydroxy-6-methyl-3,4-bis(phenylmethoxy)-2-oxanyl]oxy]-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2R,3R,4S,5R)-3-hydroxy-5-(hydroxymethyl)-4-[(2S,3S,4R,5R,6S)-5-hydroxy-6-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxyoxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2R,3R,4S,5R)-4-[(2S,3S,4R,5R,6S)-3,4-dibenzoxy-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C30H35N5O9 MolecularWeight: 609.627

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(OC(C2O)N3C=NC4=C3NC(=NC4=O)N)CO)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3C=NC4=C3NC(=NC4=O)N)CO)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O

InChI

InChI=1S/C30H35N5O9/c1-16-21(37)24(40-13-17-8-4-2-5-9-17)25(41-14-18-10-6-3-7-11-18)29(42-16)44-23-19(12-36)43-28(22(23)38)35-15-32-20-26(35)33-30(31)34-27(20)39/h2-11,15-16,19,21-25,28-29,36-38H,12-14H2,1H3,(H3,31,33,34,39)/t16-,19+,21+,22+,23+,24+,25-,28+,29-/m0/s1