2-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-nitro-phenol

Systemtic Name: 2-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-nitro-phenol Openeye Name: 2-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-nitro-phenol CAS Name: 2-[[5-(4-bromophenyl)-6-ethyl-4-thieno[2,3-d]pyrimidinyl]amino]-4-nitrophenol IUPAC Name: 2-[[5-(4-bromophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]amino]-4-nitrophenol Traditional Name: 2-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-nitro-phenol Formula: C20H15BrN4O3S MolecularWeight: 471.3271

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrN4O3S/c1-2-16-17(11-3-5-12(21)6-4-11)18-19(22-10-23-20(18)29-16)24-14-9-13(25(27)28)7-8-15(14)26/h3-10,26H,2H2,1H3,(H,22,23,24)