N-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-6-ethyl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amine Formula: C21H16BrN3O2S MolecularWeight: 454.33964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N=CN=C2S1)NC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)Br

Isomeric SMILES

CCC1=C(C2=C(N=CN=C2S1)NC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C21H16BrN3O2S/c1-2-17-18(12-3-5-13(22)6-4-12)19-20(23-10-24-21(19)28-17)25-14-7-8-15-16(9-14)27-11-26-15/h3-10H,2,11H2,1H3,(H,23,24,25)