9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-[[1,2,3-tris(oxidanyl)-1,2,3,4-tetrahydrochrysen-4-yl]amino]-3H-purin-6-one

Systemtic Name: 9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-[[1,2,3-tris(oxidanyl)-1,2,3,4-tetrahydrochrysen-4-yl]amino]-3H-purin-6-one Openeye Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-[(1,2,3-trihydroxy-1,2,3,4-tetrahydrochrysen-4-yl)amino]-3H-purin-6-one CAS Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-[(1,2,3-trihydroxy-1,2,3,4-tetrahydrochrysen-4-yl)amino]-3H-purin-6-one IUPAC Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-[(1,2,3-trihydroxy-1,2,3,4-tetrahydrochrysen-4-yl)amino]-3H-purin-6-one Traditional Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-2-[(1,2,3-trihydroxy-1,2,3,4-tetrahydrochrysen-4-yl)amino]-3H-purin-6-one Formula: C28H27N5O8 MolecularWeight: 561.54268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C(C(C(C4O)O)O)NC5=NC(=O)C6=C(N5)N(C=N6)C7C(C(C(O7)CO)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C(C(C(C4O)O)O)NC5=NC(=O)C6=C(N5)N(C=N6)[C@H]7[C@@H]([C@@H]([C@H](O7)CO)O)O

InChI

InChI=1S/C28H27N5O8/c34-9-16-21(36)24(39)27(41-16)33-10-29-19-25(33)31-28(32-26(19)40)30-18-17-14-6-5-11-3-1-2-4-12(11)13(14)7-8-15(17)20(35)23(38)22(18)37/h1-8,10,16,18,20-24,27,34-39H,9H2,(H2,30,31,32,40)/t16-,18?,20?,21-,22?,23?,24-,27-/m1/s1