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

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl pyrazine-2-carboxylate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl pyrazine-2-carboxylate Traditional Name: pyrazinic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C16H18N6O4 MolecularWeight: 358.35192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6O4/c1-3-4-7-22-13-12(14(23)20-16(22)25)21(2)11(19-13)9-26-15(24)10-8-17-5-6-18-10/h5-6,8H,3-4,7,9H2,1-2H3,(H,20,23,25)