5-(4-methylphenyl)-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-methylphenyl)-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-3-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-methylphenyl)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C23H22N6O2S MolecularWeight: 446.52478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C23H22N6O2S/c1-16-3-5-17(6-4-16)18-14-32-21-20(18)22(31)29(15-26-21)13-19(30)27-9-11-28(12-10-27)23-24-7-2-8-25-23/h2-8,14-15H,9-13H2,1H3