[5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl nonanoate

Systemtic Name: [5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl nonanoate Openeye Name: [5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl nonanoate CAS Name: nonanoic acid [5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl nonanoate Traditional Name: pelargonic acid (5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl)methyl ester Formula: C19H29N5O4 MolecularWeight: 391.46466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OCC1C(CC(O1)N2C=NC3=C2N=CN=C3N)O

Isomeric SMILES

CCCCCCCCC(=O)OCC1C(CC(O1)N2C=NC3=C2N=CN=C3N)O

InChI

InChI=1S/C19H29N5O4/c1-2-3-4-5-6-7-8-16(26)27-10-14-13(25)9-15(28-14)24-12-23-17-18(20)21-11-22-19(17)24/h11-15,25H,2-10H2,1H3,(H2,20,21,22)