2-[[1-(4-chlorophenyl)ethylamino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[1-(4-chlorophenyl)ethylamino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[1-(4-chlorophenyl)ethylamino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[1-(4-chlorophenyl)ethylamino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[1-(4-chlorophenyl)ethylamino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[1-(4-chlorophenyl)ethylamino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H18ClN3OS MolecularWeight: 395.90512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Cl)NCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CC(C1=CC=C(C=C1)Cl)NCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C21H18ClN3OS/c1-13(14-7-9-16(22)10-8-14)23-11-18-24-20(26)19-17(12-27-21(19)25-18)15-5-3-2-4-6-15/h2-10,12-13,23H,11H2,1H3,(H,24,25,26)