butyl 1-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]azocane-5-carboxylate

Systemtic Name: butyl 1-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]azocane-5-carboxylate Openeye Name: butyl 1-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)azocane-5-carboxylate CAS Name: 1-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)-5-azocanecarboxylic acid butyl ester IUPAC Name: butyl 1-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)azocane-5-carboxylate Traditional Name: 1-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)azocane-5-carboxylic acid butyl ester Formula: C20H31N5O4 MolecularWeight: 405.49124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1CCCN(CCC1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCCOC(=O)C1CCCN(CCC1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H31N5O4/c1-5-6-13-29-18(27)14-9-7-11-25(12-8-10-14)19-21-16-15(22(19)2)17(26)24(4)20(28)23(16)3/h14H,5-13H2,1-4H3