2-azanyl-8-bromanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one dihydrate

Systemtic Name: 2-azanyl-8-bromanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one dihydrate Openeye Name: 2-amino-8-bromo-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one dihydrate CAS Name: 2-amino-8-bromo-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one dihydrate IUPAC Name: 2-amino-8-bromo-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one dihydrate Traditional Name: 2-amino-8-bromo-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-3H-purin-6-one dihydrate Formula: C10H16BrN5O7 MolecularWeight: 398.16734

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(O1)N2C3=C(C(=O)N=C(N3)N)N=C2Br)O)O)O.O.O

Isomeric SMILES

C(C1C(C(C(O1)N2C3=C(C(=O)N=C(N3)N)N=C2Br)O)O)O.O.O

InChI

InChI=1S/C10H12BrN5O5.2H2O/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8;;/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20);2*1H2