2-[8-(hexylamino)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: 2-[8-(hexylamino)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: 2-[8-(hexylamino)-1,3-dimethyl-2,6-dioxo-purin-7-yl]acetate CAS Name: 2-[8-(hexylamino)-1,3-dimethyl-2,6-dioxo-7-purinyl]acetate IUPAC Name: 2-[8-(hexylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate Traditional Name: 2-[8-(hexylamino)-2,6-diketo-1,3-dimethyl-purin-7-yl]acetate Formula: C15H22N5O4- MolecularWeight: 336.36628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=C(N1CC(=O)[O-])C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCCNC1=NC2=C(N1CC(=O)[O-])C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C15H23N5O4/c1-4-5-6-7-8-16-14-17-12-11(20(14)9-10(21)22)13(23)19(3)15(24)18(12)2/h4-9H2,1-3H3,(H,16,17)(H,21,22)/p-1