3-ethyl-2-(3-phenylpropylsulfanyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-ethyl-2-(3-phenylpropylsulfanyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-ethyl-2-(3-phenylpropylsulfanyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-ethyl-2-(3-phenylpropylthio)-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-ethyl-2-(3-phenylpropylsulfanyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-ethyl-2-(3-phenylpropylthio)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H20N2OS3 MolecularWeight: 412.5913

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCCCC3=CC=CC=C3)SC=C2C4=CC=CS4

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCCCC3=CC=CC=C3)SC=C2C4=CC=CS4

InChI

InChI=1S/C21H20N2OS3/c1-2-23-20(24)18-16(17-11-7-12-25-17)14-27-19(18)22-21(23)26-13-6-10-15-8-4-3-5-9-15/h3-5,7-9,11-12,14H,2,6,10,13H2,1H3