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

Systemtic Name: 4-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-3-methyl-phenol Openeye Name: 4-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-3-methyl-phenol CAS Name: 4-[[5-(4-bromophenyl)-6-ethyl-4-thieno[2,3-d]pyrimidinyl]amino]-3-methylphenol IUPAC Name: 4-[[5-(4-bromophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]amino]-3-methylphenol Traditional Name: 4-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-3-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=C(C=C3)O)C)C4=CC=C(C=C4)Br

Isomeric SMILES

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

InChI

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