2-(chloromethyl)-5,6-dimethyl-3-(2-oxidanylidenepropyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(chloromethyl)-5,6-dimethyl-3-(2-oxidanylidenepropyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-acetonyl-2-(chloromethyl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(chloromethyl)-5,6-dimethyl-3-(2-oxopropyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(chloromethyl)-5,6-dimethyl-3-(2-oxopropyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-acetonyl-2-(chloromethyl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C12H13ClN2O2S MolecularWeight: 284.76182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)CCl)CC(=O)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)CCl)CC(=O)C)C

InChI

InChI=1S/C12H13ClN2O2S/c1-6(16)5-15-9(4-13)14-11-10(12(15)17)7(2)8(3)18-11/h4-5H2,1-3H3