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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 5-methylpyrazine-2-carboxylate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C19H24N6O4 MolecularWeight: 400.43166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N6O4/c1-4-6-8-25-16-15(17(26)23-19(25)28)24(7-5-2)14(22-16)11-29-18(27)13-10-20-12(3)9-21-13/h9-10H,4-8,11H2,1-3H3,(H,23,26,28)