1-(4-bromophenyl)-4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-butan-1-one

Systemtic Name: 1-(4-bromophenyl)-4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-butan-1-one Openeye Name: 1-(4-bromophenyl)-4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-butan-1-one CAS Name: 1-(4-bromophenyl)-4-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbutan-1-one Traditional Name: 1-(4-bromophenyl)-4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]butan-1-one Formula: C18H17BrN2OS2 MolecularWeight: 421.37438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCCCC(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCCCC(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C18H17BrN2OS2/c1-11-12(2)24-18-16(11)17(20-10-21-18)23-9-3-4-15(22)13-5-7-14(19)8-6-13/h5-8,10H,3-4,9H2,1-2H3