5-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(5-phenylpentan-2-yl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 5-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(5-phenylpentan-2-yl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-(1-methyl-4-phenyl-butyl)-5-[(4-morpholinosulfonylphenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-[[4-(4-morpholinylsulfonyl)phenyl]methyl]-3-(5-phenylpentan-2-yl)-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 5-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(5-phenylpentan-2-yl)-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(1-methyl-4-phenyl-butyl)-5-(4-morpholinosulfonylbenzyl)-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C26H30N6O4S MolecularWeight: 522.6192

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=C1)N2C3=NC(=NC(=O)C3=NN2)CC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC(CCCC1=CC=CC=C1)N2C3=NC(=NC(=O)C3=NN2)CC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C26H30N6O4S/c1-19(6-5-9-20-7-3-2-4-8-20)32-25-24(29-30-32)26(33)28-23(27-25)18-21-10-12-22(13-11-21)37(34,35)31-14-16-36-17-15-31/h2-4,7-8,10-13,19,30H,5-6,9,14-18H2,1H3