2-[(4-bromophenyl)sulfanylmethyl]-N-cyclopentyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 2-[(4-bromophenyl)sulfanylmethyl]-N-cyclopentyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Openeye Name: 2-[(4-bromophenyl)sulfanylmethyl]-N-cyclopentyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine CAS Name: 2-[[(4-bromophenyl)thio]methyl]-N-cyclopentyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine IUPAC Name: 2-[(4-bromophenyl)sulfanylmethyl]-N-cyclopentyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Traditional Name: [2-[[(4-bromophenyl)thio]methyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]-cyclopentyl-amine Formula: C22H24BrN3S2 MolecularWeight: 474.48006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=C3C4=C(CCCC4)SC3=NC(=N2)CSC5=CC=C(C=C5)Br

Isomeric SMILES

C1CCC(C1)NC2=C3C4=C(CCCC4)SC3=NC(=N2)CSC5=CC=C(C=C5)Br

InChI

InChI=1S/C22H24BrN3S2/c23-14-9-11-16(12-10-14)27-13-19-25-21(24-15-5-1-2-6-15)20-17-7-3-4-8-18(17)28-22(20)26-19/h9-12,15H,1-8,13H2,(H,24,25,26)