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

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl pyrazine-2-carboxylate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl pyrazine-2-carboxylate Traditional Name: pyrazinic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C17H20N6O4 MolecularWeight: 372.3785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=NC=CN=C3)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=NC=CN=C3)CC

InChI

InChI=1S/C17H20N6O4/c1-3-5-8-23-14-13(15(24)21-17(23)26)22(4-2)12(20-14)10-27-16(25)11-9-18-6-7-19-11/h6-7,9H,3-5,8,10H2,1-2H3,(H,21,24,26)