N-[(4-bromophenyl)methyl]-2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-methyl-ethanamide

Systemtic Name: N-[(4-bromophenyl)methyl]-2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-methyl-ethanamide Openeye Name: 2-(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-bromophenyl)methyl]-N-methyl-acetamide CAS Name: N-[(4-bromophenyl)methyl]-2-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-methylacetamide IUPAC Name: N-[(4-bromophenyl)methyl]-2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-methylacetamide Traditional Name: 2-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(4-bromobenzyl)-N-methyl-acetamide Formula: C21H22BrN3O2S2 MolecularWeight: 492.45228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N(C)CC3=CC=C(C=C3)Br)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N(C)CC3=CC=C(C=C3)Br)CC=C)C

InChI

InChI=1S/C21H22BrN3O2S2/c1-5-10-25-20(27)18-13(2)14(3)29-19(18)23-21(25)28-12-17(26)24(4)11-15-6-8-16(22)9-7-15/h5-9H,1,10-12H2,2-4H3