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

Systemtic Name: 2-azanyl-9-[5-(octadecoxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(octadecoxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[3,4-dihydroxy-5-(octadecoxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(octadecoxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[3,4-dihydroxy-5-(stearyloxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C28H49N5O5 MolecularWeight: 535.71916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)O)O

InChI

InChI=1S/C28H49N5O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-37-19-21-23(34)24(35)27(38-21)33-20-30-22-25(33)31-28(29)32-26(22)36/h20-21,23-24,27,34-35H,2-19H2,1H3,(H3,29,31,32,36)