4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-N-phenyl-[1]benzothiolo[2,3-d]pyrimidine-2-carboxamide

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-N-phenyl-[1]benzothiolo[2,3-d]pyrimidine-2-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-N-phenyl-benzothiopheno[2,3-d]pyrimidine-2-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-N-phenyl-[1]benzothiolo[2,3-d]pyrimidine-2-carboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-N-phenyl-[1]benzothiolo[2,3-d]pyrimidine-2-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-N-phenyl-benzothiopheno[2,3-d]pyrimidine-2-carboxamide Formula: C25H19ClN4O2S MolecularWeight: 474.96196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C4=CC=CC=C4SC3=NC(=N2)C(=O)NC5=CC=CC=C5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C4=CC=CC=C4SC3=NC(=N2)C(=O)NC5=CC=CC=C5)Cl

InChI

InChI=1S/C25H19ClN4O2S/c1-32-19-12-11-15(13-18(19)26)14-27-22-21-17-9-5-6-10-20(17)33-25(21)30-23(29-22)24(31)28-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,28,31)(H,27,29,30)