2-(6-aminopurin-9-yl)-5-(1,2-dihydroacenaphthylen-1-yloxymethyl)oxolane-3,4-diol

Systemtic Name: 2-(6-aminopurin-9-yl)-5-(1,2-dihydroacenaphthylen-1-yloxymethyl)oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-(1,2-dihydroacenaphthylen-1-yloxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-(1,2-dihydroacenaphthylen-1-yloxymethyl)oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-(1,2-dihydroacenaphthylen-1-yloxymethyl)oxolane-3,4-diol Traditional Name: 2-(acenaphthen-1-yloxymethyl)-5-adenin-9-yl-tetrahydrofuran-3,4-diol Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC3=C2C1=CC=C3)OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N)O)O

Isomeric SMILES

C1C(C2=CC=CC3=C2C1=CC=C3)OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N)O)O

InChI

InChI=1S/C22H21N5O4/c23-20-17-21(25-9-24-20)27(10-26-17)22-19(29)18(28)15(31-22)8-30-14-7-12-5-1-3-11-4-2-6-13(14)16(11)12/h1-6,9-10,14-15,18-19,22,28-29H,7-8H2,(H2,23,24,25)