3-[(4-methylphenyl)methyl]-6-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 3-[(4-methylphenyl)methyl]-6-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(p-tolylmethyl)triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(4-methylphenyl)methyl]-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-7-triazolo[4,5-d]pyrimidinone IUPAC Name: 3-[(4-methylphenyl)methyl]-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]triazolo[4,5-d]pyrimidin-7-one Traditional Name: 6-[2-keto-2-(4-phenylpiperazino)ethyl]-3-(4-methylbenzyl)triazolo[4,5-d]pyrimidin-7-one Formula: C24H25N7O2 MolecularWeight: 443.501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C(=O)N(C=N3)CC(=O)N4CCN(CC4)C5=CC=CC=C5)N=N2

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C(=O)N(C=N3)CC(=O)N4CCN(CC4)C5=CC=CC=C5)N=N2

InChI

InChI=1S/C24H25N7O2/c1-18-7-9-19(10-8-18)15-31-23-22(26-27-31)24(33)30(17-25-23)16-21(32)29-13-11-28(12-14-29)20-5-3-2-4-6-20/h2-10,17H,11-16H2,1H3