3-azanyl-4-oxidanyl-5-[6-(phenethylamino)purin-9-yl]oxolane-2-carboxylic acid

Systemtic Name: 3-azanyl-4-oxidanyl-5-[6-(phenethylamino)purin-9-yl]oxolane-2-carboxylic acid Openeye Name: 3-amino-4-hydroxy-5-[6-(phenethylamino)purin-9-yl]tetrahydrofuran-2-carboxylic acid CAS Name: 3-amino-4-hydroxy-5-[6-(phenethylamino)-9-purinyl]-2-oxolanecarboxylic acid IUPAC Name: 3-amino-4-hydroxy-5-[6-(phenethylamino)purin-9-yl]oxolane-2-carboxylic acid Traditional Name: 3-amino-4-hydroxy-5-[6-(phenethylamino)purin-9-yl]tetrahydrofuran-2-carboxylic acid Formula: C18H20N6O4 MolecularWeight: 384.3892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=NC3=C2N=CN3C4C(C(C(O4)C(=O)O)N)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=NC3=C2N=CN3C4C(C(C(O4)C(=O)O)N)O

InChI

InChI=1S/C18H20N6O4/c19-11-13(25)17(28-14(11)18(26)27)24-9-23-12-15(21-8-22-16(12)24)20-7-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,25H,6-7,19H2,(H,26,27)(H,20,21,22)