7-(azepan-1-yl)-5-(3,4-dimethoxyphenyl)-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione

Systemtic Name: 7-(azepan-1-yl)-5-(3,4-dimethoxyphenyl)-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione Openeye Name: 7-(azepan-1-yl)-5-(3,4-dimethoxyphenyl)-3-phenyl-thiazolo[4,5-d]pyrimidine-2-thione CAS Name: 7-(1-azepanyl)-5-(3,4-dimethoxyphenyl)-3-phenyl-2-thiazolo[4,5-d]pyrimidinethione IUPAC Name: 7-(azepan-1-yl)-5-(3,4-dimethoxyphenyl)-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione Traditional Name: 7-(azepan-1-yl)-5-(3,4-dimethoxyphenyl)-3-phenyl-thiazolo[4,5-d]pyrimidine-2-thione Formula: C25H26N4O2S2 MolecularWeight: 478.62954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(C(=N2)N4CCCCCC4)SC(=S)N3C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(C(=N2)N4CCCCCC4)SC(=S)N3C5=CC=CC=C5)OC

InChI

InChI=1S/C25H26N4O2S2/c1-30-19-13-12-17(16-20(19)31-2)22-26-23(28-14-8-3-4-9-15-28)21-24(27-22)29(25(32)33-21)18-10-6-5-7-11-18/h5-7,10-13,16H,3-4,8-9,14-15H2,1-2H3