3,4-bis(oxidanyl)-5-[6-(1-phenylbutan-2-ylamino)purin-9-yl]oxolane-2-carboxylic acid

Systemtic Name: 3,4-bis(oxidanyl)-5-[6-(1-phenylbutan-2-ylamino)purin-9-yl]oxolane-2-carboxylic acid Openeye Name: 5-[6-(1-benzylpropylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3,4-dihydroxy-5-[6-(1-phenylbutan-2-ylamino)-9-purinyl]-2-oxolanecarboxylic acid IUPAC Name: 3,4-dihydroxy-5-[6-(1-phenylbutan-2-ylamino)purin-9-yl]oxolane-2-carboxylic acid Traditional Name: 5-[6-(1-benzylpropylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-carboxylic acid Formula: C20H23N5O5 MolecularWeight: 413.42712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)C(=O)O)O)O

Isomeric SMILES

CCC(CC1=CC=CC=C1)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)C(=O)O)O)O

InChI

InChI=1S/C20H23N5O5/c1-2-12(8-11-6-4-3-5-7-11)24-17-13-18(22-9-21-17)25(10-23-13)19-15(27)14(26)16(30-19)20(28)29/h3-7,9-10,12,14-16,19,26-27H,2,8H2,1H3,(H,28,29)(H,21,22,24)