2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-(phenylmethyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: 2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-(phenylmethyl)-1,2-dihydroquinazolin-4-one Openeye Name: 3-benzyl-2-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]-1,2-dihydroquinazolin-4-one CAS Name: 2-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]-3-(phenylmethyl)-1,2-dihydroquinazolin-4-one IUPAC Name: 3-benzyl-2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-1,2-dihydroquinazolin-4-one Traditional Name: 3-benzyl-2-[4-methoxy-3-[(2-pyridylthio)methyl]phenyl]-1,2-dihydroquinazolin-4-one Formula: C28H25N3O2S MolecularWeight: 467.582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)CSC5=CC=CC=N5

Isomeric SMILES

COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)CSC5=CC=CC=N5

InChI

InChI=1S/C28H25N3O2S/c1-33-25-15-14-21(17-22(25)19-34-26-13-7-8-16-29-26)27-30-24-12-6-5-11-23(24)28(32)31(27)18-20-9-3-2-4-10-20/h2-17,27,30H,18-19H2,1H3