[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 5-methylpyrazine-2-carboxylate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 5-methylpyrazine-2-carboxylate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-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 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C18H22N6O4 MolecularWeight: 386.40508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CN=C(C=N3)C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CN=C(C=N3)C)CC

InChI

InChI=1S/C18H22N6O4/c1-4-6-7-24-15-14(16(25)22-18(24)27)23(5-2)13(21-15)10-28-17(26)12-9-19-11(3)8-20-12/h8-9H,4-7,10H2,1-3H3,(H,22,25,27)