1-[5-(6-aminopurin-9-yl)-4-azanyl-3-oxidanyl-oxolan-2-yl]ethane-1,2-diol

Systemtic Name: 1-[5-(6-aminopurin-9-yl)-4-azanyl-3-oxidanyl-oxolan-2-yl]ethane-1,2-diol Openeye Name: 1-[4-amino-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]ethane-1,2-diol CAS Name: 1-[4-amino-5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]ethane-1,2-diol IUPAC Name: 1-[4-amino-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]ethane-1,2-diol Traditional Name: 1-(5-adenin-9-yl-4-amino-3-hydroxy-tetrahydrofuran-2-yl)ethane-1,2-diol Formula: C22H32N12O8 MolecularWeight: 592.56508

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(CO)O)O)N.C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(CO)O)O)N

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(CO)O)O)N.C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(CO)O)O)N

InChI

InChI=1S/2C11H16N6O4/c2*12-5-7(20)8(4(19)1-18)21-11(5)17-3-16-6-9(13)14-2-15-10(6)17/h2*2-5,7-8,11,18-20H,1,12H2,(H2,13,14,15)