2-[(3-bromophenyl)methylsulfanyl]-5,6-dimethyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-5,6-dimethyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(3-bromophenyl)methylsulfanyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3-bromophenyl)methylthio]-5,6-dimethyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(3-bromobenzyl)thio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C18H17BrN2OS2 MolecularWeight: 421.37438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC(=CC=C3)Br)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC(=CC=C3)Br)CC=C)C

InChI

InChI=1S/C18H17BrN2OS2/c1-4-8-21-17(22)15-11(2)12(3)24-16(15)20-18(21)23-10-13-6-5-7-14(19)9-13/h4-7,9H,1,8,10H2,2-3H3