9-[2-methyl-3,4-bis(oxidanyl)-5-[oxidanyl(phosphonato)methyl]oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 9-[2-methyl-3,4-bis(oxidanyl)-5-[oxidanyl(phosphonato)methyl]oxolan-2-yl]-3H-purin-6-one Openeye Name: 9-[3,4-dihydroxy-5-[hydroxy(phosphonato)methyl]-2-methyl-tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 9-[3,4-dihydroxy-5-[hydroxy(phosphonato)methyl]-2-methyl-2-oxolanyl]-3H-purin-6-one IUPAC Name: 9-[3,4-dihydroxy-5-[hydroxy(phosphonato)methyl]-2-methyloxolan-2-yl]-3H-purin-6-one Traditional Name: 9-[3,4-dihydroxy-5-[hydroxy(phosphonato)methyl]-2-methyl-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C11H13N4O8P-2 MolecularWeight: 360.216681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(O1)C(O)P(=O)([O-])[O-])O)O)N2C=NC3=C2NC=NC3=O

Isomeric SMILES

CC1(C(C(C(O1)C(O)P(=O)([O-])[O-])O)O)N2C=NC3=C2NC=NC3=O

InChI

InChI=1S/C11H15N4O8P/c1-11(15-3-14-4-8(15)12-2-13-9(4)18)7(17)5(16)6(23-11)10(19)24(20,21)22/h2-3,5-7,10,16-17,19H,1H3,(H,12,13,18)(H2,20,21,22)/p-2