4-(azetidin-1-yl)-2-[(4-bromophenyl)sulfanylmethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-(azetidin-1-yl)-2-[(4-bromophenyl)sulfanylmethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidine Openeye Name: 4-(azetidin-1-yl)-2-[(4-bromophenyl)sulfanylmethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidine CAS Name: 4-(1-azetidinyl)-2-[[(4-bromophenyl)thio]methyl]-5,6-dimethylthieno[2,3-d]pyrimidine IUPAC Name: 4-(azetidin-1-yl)-2-[(4-bromophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidine Traditional Name: 4-(azetidin-1-yl)-2-[[(4-bromophenyl)thio]methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidine Formula: C18H18BrN3S2 MolecularWeight: 420.38962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCC3)CSC4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCC3)CSC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C18H18BrN3S2/c1-11-12(2)24-18-16(11)17(22-8-3-9-22)20-15(21-18)10-23-14-6-4-13(19)5-7-14/h4-7H,3,8-10H2,1-2H3