5-(4-bromophenyl)-6-ethyl-N-(2-methyl-5-nitro-phenyl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 5-(4-bromophenyl)-6-ethyl-N-(2-methyl-5-nitro-phenyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5-(4-bromophenyl)-6-ethyl-N-(2-methyl-5-nitro-phenyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 5-(4-bromophenyl)-6-ethyl-N-(2-methyl-5-nitrophenyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5-(4-bromophenyl)-6-ethyl-N-(2-methyl-5-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: [5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]-(2-methyl-5-nitro-phenyl)amine Formula: C21H17BrN4O2S MolecularWeight: 469.35428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N=CN=C2S1)NC3=C(C=CC(=C3)[N+](=O)[O-])C)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C2=C(N=CN=C2S1)NC3=C(C=CC(=C3)[N+](=O)[O-])C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H17BrN4O2S/c1-3-17-18(13-5-7-14(22)8-6-13)19-20(23-11-24-21(19)29-17)25-16-10-15(26(27)28)9-4-12(16)2/h4-11H,3H2,1-2H3,(H,23,24,25)