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

Systemtic Name: 5-(5-methylthiophen-2-yl)-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(5-methyl-2-thienyl)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(5-methyl-2-thiophenyl)-3-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(5-methylthiophen-2-yl)-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-(5-methyl-2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H20N6O2S2 MolecularWeight: 452.5525

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC=C(S1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C21H20N6O2S2/c1-14-3-4-16(31-14)15-12-30-19-18(15)20(29)27(13-24-19)11-17(28)25-7-9-26(10-8-25)21-22-5-2-6-23-21/h2-6,12-13H,7-11H2,1H3