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

Systemtic Name: 6-ethyl-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-ethyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 6-ethyl-3-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-ethyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-ethyl-3-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]thieno[2,3-d]pyrimidin-4-one Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H20N6O2S/c1-2-13-10-14-16(27-13)21-12-24(17(14)26)11-15(25)22-6-8-23(9-7-22)18-19-4-3-5-20-18/h3-5,10,12H,2,6-9,11H2,1H3