5-(3,4-dichlorophenyl)-2-(diphenylmethyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(3,4-dichlorophenyl)-2-(diphenylmethyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-benzhydryl-5-(3,4-dichlorophenyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(3,4-dichlorophenyl)-2-(diphenylmethyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-benzhydryl-5-(3,4-dichlorophenyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-benzhydryl-5-(3,4-dichlorophenyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C27H20Cl2N2OS MolecularWeight: 491.4315

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(NC2=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(NC2=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C27H20Cl2N2OS/c1-2-21-23(18-13-14-19(28)20(29)15-18)24-26(32)30-25(31-27(24)33-21)22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,22H,2H2,1H3,(H,30,31,32)