[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C22H27N7O4 MolecularWeight: 453.49428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC4=C(C=C3)N(N=N4)CC)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC4=C(C=C3)N(N=N4)CC)CCC

InChI

InChI=1S/C22H27N7O4/c1-4-7-11-28-19-18(20(30)24-22(28)32)27(10-5-2)17(23-19)13-33-21(31)14-8-9-16-15(12-14)25-26-29(16)6-3/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,24,30,32)