3-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-oxidanylidene-2H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide

Systemtic Name: 3-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-oxidanylidene-2H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide Openeye Name: 3-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-oxo-2H-triazolo[4,5-d]pyrimidine-5-carboxamide CAS Name: 3-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-oxo-2H-triazolo[4,5-d]pyrimidine-5-carboxamide IUPAC Name: 3-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-oxo-2H-triazolo[4,5-d]pyrimidine-5-carboxamide Traditional Name: 3-(2-chlorobenzyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-keto-2H-triazolo[4,5-d]pyrimidine-5-carboxamide Formula: C20H15ClN6O4 MolecularWeight: 438.8239

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5Cl

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5Cl

InChI

InChI=1S/C20H15ClN6O4/c21-13-4-2-1-3-11(13)10-27-18-16(25-26-27)19(28)24-17(23-18)20(29)22-12-5-6-14-15(9-12)31-8-7-30-14/h1-6,9,26H,7-8,10H2,(H,22,29)