3-[(4-methylphenyl)methyl]-5-(1-thiophen-2-ylcarbonylpiperidin-3-yl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 3-[(4-methylphenyl)methyl]-5-(1-thiophen-2-ylcarbonylpiperidin-3-yl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-(p-tolylmethyl)-5-[1-(thiophene-2-carbonyl)-3-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(4-methylphenyl)methyl]-5-[1-[oxo(thiophen-2-yl)methyl]-3-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-[(4-methylphenyl)methyl]-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(4-methylbenzyl)-5-[1-(2-thenoyl)-3-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C4CCCN(C4)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C4CCCN(C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C22H22N6O2S/c1-14-6-8-15(9-7-14)12-28-20-18(25-26-28)21(29)24-19(23-20)16-4-2-10-27(13-16)22(30)17-5-3-11-31-17/h3,5-9,11,16,26H,2,4,10,12-13H2,1H3