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

Systemtic Name: 2-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-methyl-phenol Openeye Name: 2-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-methyl-phenol CAS Name: 2-[[5-(4-bromophenyl)-6-ethyl-4-thieno[2,3-d]pyrimidinyl]amino]-4-methylphenol IUPAC Name: 2-[[5-(4-bromophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]amino]-4-methylphenol Traditional Name: 2-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-methyl-phenol Formula: C21H18BrN3OS MolecularWeight: 440.35612

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N=CN=C2S1)NC3=C(C=CC(=C3)C)O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C2=C(N=CN=C2S1)NC3=C(C=CC(=C3)C)O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H18BrN3OS/c1-3-17-18(13-5-7-14(22)8-6-13)19-20(23-11-24-21(19)27-17)25-15-10-12(2)4-9-16(15)26/h4-11,26H,3H2,1-2H3,(H,23,24,25)