2-[4-methoxy-3-[pyridin-2-yl(sulfanyl)methyl]phenyl]-3-propyl-1,2-dihydroquinazolin-4-one

Systemtic Name: 2-[4-methoxy-3-[pyridin-2-yl(sulfanyl)methyl]phenyl]-3-propyl-1,2-dihydroquinazolin-4-one Openeye Name: 2-[4-methoxy-3-[2-pyridyl(sulfanyl)methyl]phenyl]-3-propyl-1,2-dihydroquinazolin-4-one CAS Name: 2-[3-[mercapto(2-pyridinyl)methyl]-4-methoxyphenyl]-3-propyl-1,2-dihydroquinazolin-4-one IUPAC Name: 2-[4-methoxy-3-[pyridin-2-yl(sulfanyl)methyl]phenyl]-3-propyl-1,2-dihydroquinazolin-4-one Traditional Name: 2-[3-[mercapto(2-pyridyl)methyl]-4-methoxy-phenyl]-3-propyl-1,2-dihydroquinazolin-4-one Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(NC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)OC)C(C4=CC=CC=N4)S

Isomeric SMILES

CCCN1C(NC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)OC)C(C4=CC=CC=N4)S

InChI

InChI=1S/C24H25N3O2S/c1-3-14-27-23(26-19-9-5-4-8-17(19)24(27)28)16-11-12-21(29-2)18(15-16)22(30)20-10-6-7-13-25-20/h4-13,15,22-23,26,30H,3,14H2,1-2H3