2-[(4-bromophenyl)sulfanylmethyl]-5,6-dimethyl-4-(4-propoxyphenoxy)thieno[2,3-d]pyrimidine

Systemtic Name: 2-[(4-bromophenyl)sulfanylmethyl]-5,6-dimethyl-4-(4-propoxyphenoxy)thieno[2,3-d]pyrimidine Openeye Name: 2-[(4-bromophenyl)sulfanylmethyl]-5,6-dimethyl-4-(4-propoxyphenoxy)thieno[2,3-d]pyrimidine CAS Name: 2-[[(4-bromophenyl)thio]methyl]-5,6-dimethyl-4-(4-propoxyphenoxy)thieno[2,3-d]pyrimidine IUPAC Name: 2-[(4-bromophenyl)sulfanylmethyl]-5,6-dimethyl-4-(4-propoxyphenoxy)thieno[2,3-d]pyrimidine Traditional Name: 2-[[(4-bromophenyl)thio]methyl]-5,6-dimethyl-4-(4-propoxyphenoxy)thieno[2,3-d]pyrimidine Formula: C24H23BrN2O2S2 MolecularWeight: 515.48562

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OC2=C3C(=C(SC3=NC(=N2)CSC4=CC=C(C=C4)Br)C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)OC2=C3C(=C(SC3=NC(=N2)CSC4=CC=C(C=C4)Br)C)C

InChI

InChI=1S/C24H23BrN2O2S2/c1-4-13-28-18-7-9-19(10-8-18)29-23-22-15(2)16(3)31-24(22)27-21(26-23)14-30-20-11-5-17(25)6-12-20/h5-12H,4,13-14H2,1-3H3