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

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)-4-(2-methylpropanoyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-4-(2-methylpropanoyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-4-(2-methyl-1-oxopropyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-4-(2-methylpropanoyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-(3,4-dihydroxy-4-isobutyryl-5-methylol-tetrahydrofuran-2-yl)-3H-purin-6-one Formula: C14H19N5O6 MolecularWeight: 353.33056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1(C(OC(C1O)N2C=NC3=C2NC(=NC3=O)N)CO)O

Isomeric SMILES

CC(C)C(=O)C1(C(OC(C1O)N2C=NC3=C2NC(=NC3=O)N)CO)O

InChI

InChI=1S/C14H19N5O6/c1-5(2)8(21)14(24)6(3-20)25-12(9(14)22)19-4-16-7-10(19)17-13(15)18-11(7)23/h4-6,9,12,20,22,24H,3H2,1-2H3,(H3,15,17,18,23)