[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 2-phenyltriazole-4-carboxylate CAS Name: 2-phenyl-4-triazolecarboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 2-phenyltriazole-4-carboxylate Traditional Name: 2-phenyltriazole-4-carboxylic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C22H25N7O4 MolecularWeight: 451.4784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=NN(N=C3)C4=CC=CC=C4)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=NN(N=C3)C4=CC=CC=C4)CCC

InChI

InChI=1S/C22H25N7O4/c1-3-5-12-28-19-18(20(30)25-22(28)32)27(11-4-2)17(24-19)14-33-21(31)16-13-23-29(26-16)15-9-7-6-8-10-15/h6-10,13H,3-5,11-12,14H2,1-2H3,(H,25,30,32)