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

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-6-phenyl-1,3-diazinan-4-one Openeye Name: 2-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-(1-naphthylmethyl)-6-phenyl-hexahydropyrimidin-4-one CAS Name: 2-[(3-bromo-4-methoxyphenyl)methylthio]-5-(1-naphthalenylmethyl)-6-phenyl-1,3-diazinan-4-one IUPAC Name: 2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-6-phenyl-1,3-diazinan-4-one Traditional Name: 2-[(3-bromo-4-methoxy-benzyl)thio]-5-(1-naphthylmethyl)-6-phenyl-hexahydropyrimidin-4-one Formula: C29H27BrN2O2S MolecularWeight: 547.50588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2NC(C(C(=O)N2)CC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2NC(C(C(=O)N2)CC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5)Br

InChI

InChI=1S/C29H27BrN2O2S/c1-34-26-15-14-19(16-25(26)30)18-35-29-31-27(21-9-3-2-4-10-21)24(28(33)32-29)17-22-12-7-11-20-8-5-6-13-23(20)22/h2-16,24,27,29,31H,17-18H2,1H3,(H,32,33)