(1S,2R,3S,4R)-1-[[9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol

Systemtic Name: (1S,2R,3S,4R)-1-[[9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol Openeye Name: (1S,2R,3S,4R)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol CAS Name: (1S,2R,3S,4R)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol IUPAC Name: (1S,2R,3S,4R)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol Traditional Name: (1S,2R,3S,4R)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol Formula: C28H27N5O6 MolecularWeight: 529.54388

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3NC4C(C(C(C5=C4C6=C(C=CC7=CC=CC=C76)C=C5)O)O)O)CO)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N[C@@H]4[C@H]([C@H]([C@@H](C5=C4C6=C(C=CC7=CC=CC=C76)C=C5)O)O)O)CO)O

InChI

InChI=1S/C28H27N5O6/c34-10-18-17(35)9-19(39-18)33-12-31-23-27(29-11-30-28(23)33)32-22-21-16(24(36)26(38)25(22)37)8-7-14-6-5-13-3-1-2-4-15(13)20(14)21/h1-8,11-12,17-19,22,24-26,34-38H,9-10H2,(H,29,30,32)/t17-,18+,19+,22-,24+,25+,26-/m0/s1