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

Systemtic Name: [7-butyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-8-yl]methyl 5-methylpyrazine-2-carboxylate Openeye Name: (3-benzyl-7-butyl-2,6-dioxo-purin-8-yl)methyl 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [7-butyl-2,6-dioxo-3-(phenylmethyl)-8-purinyl]methyl ester IUPAC Name: (3-benzyl-7-butyl-2,6-dioxopurin-8-yl)methyl 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid (3-benzyl-7-butyl-2,6-diketo-purin-8-yl)methyl ester Formula: C23H24N6O4 MolecularWeight: 448.47446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)COC(=O)C4=CN=C(C=N4)C

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)COC(=O)C4=CN=C(C=N4)C

InChI

InChI=1S/C23H24N6O4/c1-3-4-10-28-18(14-33-22(31)17-12-24-15(2)11-25-17)26-20-19(28)21(30)27-23(32)29(20)13-16-8-6-5-7-9-16/h5-9,11-12H,3-4,10,13-14H2,1-2H3,(H,27,30,32)