2-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(6-chloro-4-keto-1H-quinazolin-2-yl)methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C18H13ClN4O2S2 MolecularWeight: 416.90442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)SC=C2

InChI

InChI=1S/C18H13ClN4O2S2/c1-2-6-23-17(25)11-5-7-26-16(11)22-18(23)27-9-14-20-13-4-3-10(19)8-12(13)15(24)21-14/h2-5,7-8H,1,6,9H2,(H,20,21,24)