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

Systemtic Name: 2-[(5-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]-3-(3-methylbutyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(5-chlorobenzothiophen-3-yl)methylsulfanyl]-3-isopentyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(5-chloro-1-benzothiophen-3-yl)methylthio]-3-(3-methylbutyl)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-3-(3-methylbutyl)thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(5-chlorobenzothiophen-3-yl)methylthio]-3-isoamyl-thieno[3,2-d]pyrimidin-4-one Formula: C20H19ClN2OS3 MolecularWeight: 435.02566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=CS2)N=C1SCC3=CSC4=C3C=C(C=C4)Cl

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=CS2)N=C1SCC3=CSC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C20H19ClN2OS3/c1-12(2)5-7-23-19(24)18-16(6-8-25-18)22-20(23)27-11-13-10-26-17-4-3-14(21)9-15(13)17/h3-4,6,8-10,12H,5,7,11H2,1-2H3