2-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-6-phenyl-5-(phenylmethyl)-1,3-diazinan-4-one

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-6-phenyl-5-(phenylmethyl)-1,3-diazinan-4-one Openeye Name: 5-benzyl-2-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-6-phenyl-hexahydropyrimidin-4-one CAS Name: 2-[(3-bromo-4-methoxyphenyl)methylthio]-6-phenyl-5-(phenylmethyl)-1,3-diazinan-4-one IUPAC Name: 5-benzyl-2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-6-phenyl-1,3-diazinan-4-one Traditional Name: 5-benzyl-2-[(3-bromo-4-methoxy-benzyl)thio]-6-phenyl-hexahydropyrimidin-4-one Formula: C25H25BrN2O2S MolecularWeight: 497.4472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2NC(C(C(=O)N2)CC3=CC=CC=C3)C4=CC=CC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2NC(C(C(=O)N2)CC3=CC=CC=C3)C4=CC=CC=C4)Br

InChI

InChI=1S/C25H25BrN2O2S/c1-30-22-13-12-18(15-21(22)26)16-31-25-27-23(19-10-6-3-7-11-19)20(24(29)28-25)14-17-8-4-2-5-9-17/h2-13,15,20,23,25,27H,14,16H2,1H3,(H,28,29)