2-[(5-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]-3-phenethyl-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(5-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]-3-phenethyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(5-chlorobenzothiophen-3-yl)methylsulfanyl]-3-phenethyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(5-chloro-1-benzothiophen-3-yl)methylthio]-3-phenethyl-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-3-phenethylthieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(5-chlorobenzothiophen-3-yl)methylthio]-3-phenethyl-thieno[3,2-d]pyrimidin-4-one Formula: C23H17ClN2OS3 MolecularWeight: 469.04188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=CS3)N=C2SCC4=CSC5=C4C=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=CS3)N=C2SCC4=CSC5=C4C=C(C=C5)Cl

InChI

InChI=1S/C23H17ClN2OS3/c24-17-6-7-20-18(12-17)16(13-29-20)14-30-23-25-19-9-11-28-21(19)22(27)26(23)10-8-15-4-2-1-3-5-15/h1-7,9,11-13H,8,10,14H2