2-[1-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[1-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[1-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[1-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[1-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[1-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H19ClN4O2S2 MolecularWeight: 458.98416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(C)SC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C(C)SC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC=C)C

InChI

InChI=1S/C21H19ClN4O2S2/c1-5-8-26-20(28)14-7-6-13(22)9-15(14)23-21(26)30-12(4)17-24-18(27)16-10(2)11(3)29-19(16)25-17/h5-7,9,12H,1,8H2,2-4H3,(H,24,25,27)