3-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]propanoyl chloride

Systemtic Name: 3-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]propanoyl chloride Openeye Name: 3-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]propanoyl chloride CAS Name: 3-[4-[(3-chloro-4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]propanoyl chloride IUPAC Name: 3-[4-[(3-chloro-4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]propanoyl chloride Traditional Name: 3-[4-[(3-chloro-4-methoxy-benzyl)amino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]propionyl chloride Formula: C21H21Cl2N3O2S MolecularWeight: 450.38134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C4=C(CCCC4)SC3=NC(=N2)CCC(=O)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C4=C(CCCC4)SC3=NC(=N2)CCC(=O)Cl)Cl

InChI

InChI=1S/C21H21Cl2N3O2S/c1-28-15-7-6-12(10-14(15)22)11-24-20-19-13-4-2-3-5-16(13)29-21(19)26-18(25-20)9-8-17(23)27/h6-7,10H,2-5,8-9,11H2,1H3,(H,24,25,26)