3-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-oxo-2-[4-(3-thienylmethyl)piperazin-1-yl]ethyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-oxo-2-[4-(3-thiophenylmethyl)-1-piperazinyl]ethyl]-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-[4-(3-thenyl)piperazino]ethyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H20N4O2S3 MolecularWeight: 456.6041

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)C(=O)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)C(=O)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CS5

InChI

InChI=1S/C21H20N4O2S3/c26-18(24-6-4-23(5-7-24)10-15-3-9-28-12-15)11-25-14-22-20-19(21(25)27)16(13-30-20)17-2-1-8-29-17/h1-3,8-9,12-14H,4-7,10-11H2