4-[ethanoyl-(6-methylsulfanylpurin-9-yl)amino]butyl ethanoate

Systemtic Name: 4-[ethanoyl-(6-methylsulfanylpurin-9-yl)amino]butyl ethanoate Openeye Name: 4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl acetate CAS Name: acetic acid 4-[acetyl-[6-(methylthio)-9-purinyl]amino]butyl ester IUPAC Name: 4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl acetate Traditional Name: acetic acid 4-[acetyl-[6-(methylthio)purin-9-yl]amino]butyl ester Formula: C14H19N5O3S MolecularWeight: 337.39736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCCCOC(=O)C)N1C=NC2=C1N=CN=C2SC

Isomeric SMILES

CC(=O)N(CCCCOC(=O)C)N1C=NC2=C1N=CN=C2SC

InChI

InChI=1S/C14H19N5O3S/c1-10(20)18(6-4-5-7-22-11(2)21)19-9-17-12-13(19)15-8-16-14(12)23-3/h8-9H,4-7H2,1-3H3