4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-N,6-diphenyl-thieno[2,3-d]pyrimidine-2-carboxamide

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-N,6-diphenyl-thieno[2,3-d]pyrimidine-2-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-N,6-diphenyl-thieno[2,3-d]pyrimidine-2-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-N,6-diphenyl-2-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-N,6-diphenylthieno[2,3-d]pyrimidine-2-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-N,6-diphenyl-thieno[2,3-d]pyrimidine-2-carboxamide Formula: C27H21ClN4O2S MolecularWeight: 500.99924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(SC3=NC(=N2)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(SC3=NC(=N2)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C27H21ClN4O2S/c1-34-22-13-12-17(14-21(22)28)16-29-24-20-15-23(18-8-4-2-5-9-18)35-27(20)32-25(31-24)26(33)30-19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H,30,33)(H,29,31,32)