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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 6-methylpyridine-2-carboxylate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 6-methylpyridine-2-carboxylate CAS Name: 6-methyl-2-pyridinecarboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 6-methylpyridine-2-carboxylate Traditional Name: 6-methylpicolinic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O4/c1-4-6-11-25-17-16(18(26)23-20(25)28)24(10-5-2)15(22-17)12-29-19(27)14-9-7-8-13(3)21-14/h7-9H,4-6,10-12H2,1-3H3,(H,23,26,28)