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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C19H21N7O4 MolecularWeight: 411.41454

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C)N=N1

InChI

InChI=1S/C19H21N7O4/c1-4-26-14-7-6-12(10-13(14)21-22-26)18(28)30-9-5-8-25-17(27)15-16(20-11-23(15)2)24(3)19(25)29/h6-7,10-11H,4-5,8-9H2,1-3H3