2-azanyl-8-[2-[4-[2-[2-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-oxidanylidene-3H-purin-8-yl]ethynyl]phenyl]ethynyl]-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-8-[2-[4-[2-[2-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-oxidanylidene-3H-purin-8-yl]ethynyl]phenyl]ethynyl]-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-8-[2-[4-[2-[2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-oxo-3H-purin-8-yl]ethynyl]phenyl]ethynyl]-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-8-[2-[4-[2-[2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-oxo-3H-purin-8-yl]ethynyl]phenyl]ethynyl]-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-8-[2-[4-[2-[2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-3H-purin-8-yl]ethynyl]phenyl]ethynyl]-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-8-[2-[4-[2-[2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-6-keto-3H-purin-8-yl]ethynyl]phenyl]ethynyl]-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C30H28N10O10 MolecularWeight: 688.60432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC2=NC3=C(N2C4C(C(C(O4)CO)O)O)NC(=NC3=O)N)C#CC5=NC6=C(N5C7C(C(C(O7)CO)O)O)NC(=NC6=O)N

Isomeric SMILES

C1=CC(=CC=C1C#CC2=NC3=C(N2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)NC(=NC3=O)N)C#CC5=NC6=C(N5[C@H]7[C@@H]([C@@H]([C@H](O7)CO)O)O)NC(=NC6=O)N

InChI

InChI=1S/C30H28N10O10/c31-29-35-23-17(25(47)37-29)33-15(39(23)27-21(45)19(43)13(9-41)49-27)7-5-11-1-2-12(4-3-11)6-8-16-34-18-24(36-30(32)38-26(18)48)40(16)28-22(46)20(44)14(10-42)50-28/h1-4,13-14,19-22,27-28,41-46H,9-10H2,(H3,31,35,37,47)(H3,32,36,38,48)/t13-,14-,19-,20-,21-,22-,27-,28-/m1/s1