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

Systemtic Name: 5-(4-bromophenyl)-6-ethyl-N-(2-methoxy-5-nitro-phenyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5-(4-bromophenyl)-6-ethyl-N-(2-methoxy-5-nitro-phenyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 5-(4-bromophenyl)-6-ethyl-N-(2-methoxy-5-nitrophenyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5-(4-bromophenyl)-6-ethyl-N-(2-methoxy-5-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: [5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]-(2-methoxy-5-nitro-phenyl)amine Formula: C21H17BrN4O3S MolecularWeight: 485.35368

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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-])OC)C4=CC=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN4O3S/c1-3-17-18(12-4-6-13(22)7-5-12)19-20(23-11-24-21(19)30-17)25-15-10-14(26(27)28)8-9-16(15)29-2/h4-11H,3H2,1-2H3,(H,23,24,25)