2-[(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H17ClN4O2S2 MolecularWeight: 444.95758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC=C)C

InChI

InChI=1S/C20H17ClN4O2S2/c1-4-7-25-19(27)13-6-5-12(21)8-14(13)22-20(25)28-9-15-23-17(26)16-10(2)11(3)29-18(16)24-15/h4-6,8H,1,7,9H2,2-3H3,(H,23,24,26)