2,2-dimethyl-4-(6-oxidanylidene-3H-purin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid

Systemtic Name: 2,2-dimethyl-4-(6-oxidanylidene-3H-purin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid Openeye Name: 2,2-dimethyl-4-(6-oxo-3H-purin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid CAS Name: 2,2-dimethyl-4-(6-oxo-3H-purin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid IUPAC Name: 2,2-dimethyl-4-(6-oxo-3H-purin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid Traditional Name: 4-(6-keto-3H-purin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid Formula: C13H14N4O6 MolecularWeight: 322.27346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(O1)C(OC2C(=O)O)N3C=NC4=C3NC=NC4=O)C

Isomeric SMILES

CC1(OC2C(O1)C(OC2C(=O)O)N3C=NC4=C3NC=NC4=O)C

InChI

InChI=1S/C13H14N4O6/c1-13(2)22-6-7(23-13)11(21-8(6)12(19)20)17-4-16-5-9(17)14-3-15-10(5)18/h3-4,6-8,11H,1-2H3,(H,19,20)(H,14,15,18)