N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(4-methylphenyl)methyl]-7-oxidanylidene-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(4-methylphenyl)methyl]-7-oxidanylidene-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[7-oxo-3-(p-tolylmethyl)triazolo[4,5-d]pyrimidin-6-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(4-methylphenyl)methyl]-7-oxo-6-triazolo[4,5-d]pyrimidinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(4-methylphenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide Traditional Name: 2-[7-keto-3-(4-methylbenzyl)triazolo[4,5-d]pyrimidin-6-yl]-N-piperonyl-acetamide Formula: C22H20N6O4 MolecularWeight: 432.432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C(=O)N(C=N3)CC(=O)NCC4=CC5=C(C=C4)OCO5)N=N2

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C(=O)N(C=N3)CC(=O)NCC4=CC5=C(C=C4)OCO5)N=N2

InChI

InChI=1S/C22H20N6O4/c1-14-2-4-15(5-3-14)10-28-21-20(25-26-28)22(30)27(12-24-21)11-19(29)23-9-16-6-7-17-18(8-16)32-13-31-17/h2-8,12H,9-11,13H2,1H3,(H,23,29)