ethyl 4-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H30N6O4 MolecularWeight: 406.4793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C(=O)OCC)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C(=O)OCC)CC

InChI

InChI=1S/C19H30N6O4/c1-4-7-8-25-16-15(17(26)21-18(25)27)24(5-2)14(20-16)13-22-9-11-23(12-10-22)19(28)29-6-3/h4-13H2,1-3H3,(H,21,26,27)