5-(1-morpholin-4-ylcarbonylpiperidin-3-yl)-3-(phenylmethyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 5-(1-morpholin-4-ylcarbonylpiperidin-3-yl)-3-(phenylmethyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-benzyl-5-[1-(morpholine-4-carbonyl)-3-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-[1-[4-morpholinyl(oxo)methyl]-3-piperidinyl]-3-(phenylmethyl)-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-benzyl-5-[1-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-benzyl-5-[1-(morpholine-4-carbonyl)-3-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C21H25N7O3 MolecularWeight: 423.4683

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)N2CCOCC2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5

Isomeric SMILES

C1CC(CN(C1)C(=O)N2CCOCC2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5

InChI

InChI=1S/C21H25N7O3/c29-20-17-19(28(25-24-17)13-15-5-2-1-3-6-15)22-18(23-20)16-7-4-8-27(14-16)21(30)26-9-11-31-12-10-26/h1-3,5-6,16,25H,4,7-14H2