3-[[9-[3,4-dipentoxy-5-(pentoxymethyl)oxolan-2-yl]purin-6-yl]amino]propanamide

Systemtic Name: 3-[[9-[3,4-dipentoxy-5-(pentoxymethyl)oxolan-2-yl]purin-6-yl]amino]propanamide Openeye Name: 3-[[9-[3,4-dipentoxy-5-(pentoxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]propanamide CAS Name: 3-[[9-[3,4-dipentoxy-5-(pentoxymethyl)-2-oxolanyl]-6-purinyl]amino]propanamide IUPAC Name: 3-[[9-[3,4-dipentoxy-5-(pentoxymethyl)oxolan-2-yl]purin-6-yl]amino]propanamide Traditional Name: 3-[[9-[3,4-diamoxy-5-(amoxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]propionamide Formula: C28H48N6O5 MolecularWeight: 548.71792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NCCC(=O)N)OCCCCC)OCCCCC

Isomeric SMILES

CCCCCOCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NCCC(=O)N)OCCCCC)OCCCCC

InChI

InChI=1S/C28H48N6O5/c1-4-7-10-15-36-18-21-24(37-16-11-8-5-2)25(38-17-12-9-6-3)28(39-21)34-20-33-23-26(30-14-13-22(29)35)31-19-32-27(23)34/h19-21,24-25,28H,4-18H2,1-3H3,(H2,29,35)(H,30,31,32)