3-[(2,5-dimethylphenyl)methyl]-N-(3-methoxypropyl)-7-oxidanylidene-2H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide

Systemtic Name: 3-[(2,5-dimethylphenyl)methyl]-N-(3-methoxypropyl)-7-oxidanylidene-2H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide Openeye Name: 3-[(2,5-dimethylphenyl)methyl]-N-(3-methoxypropyl)-7-oxo-2H-triazolo[4,5-d]pyrimidine-5-carboxamide CAS Name: 3-[(2,5-dimethylphenyl)methyl]-N-(3-methoxypropyl)-7-oxo-2H-triazolo[4,5-d]pyrimidine-5-carboxamide IUPAC Name: 3-[(2,5-dimethylphenyl)methyl]-N-(3-methoxypropyl)-7-oxo-2H-triazolo[4,5-d]pyrimidine-5-carboxamide Traditional Name: 3-(2,5-dimethylbenzyl)-7-keto-N-(3-methoxypropyl)-2H-triazolo[4,5-d]pyrimidine-5-carboxamide Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C3=NC(=NC(=O)C3=NN2)C(=O)NCCCOC

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C3=NC(=NC(=O)C3=NN2)C(=O)NCCCOC

InChI

InChI=1S/C18H22N6O3/c1-11-5-6-12(2)13(9-11)10-24-16-14(22-23-24)17(25)21-15(20-16)18(26)19-7-4-8-27-3/h5-6,9,23H,4,7-8,10H2,1-3H3,(H,19,26)