2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one Openeye Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one CAS Name: 2-[(4-amino-2-quinazolinyl)methylthio]-3-(3-methoxyphenyl)-4-quinazolinone IUPAC Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[(4-aminoquinazolin-2-yl)methylthio]-3-(3-methoxyphenyl)quinazolin-4-one Formula: C24H19N5O2S MolecularWeight: 441.50496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C24H19N5O2S/c1-31-16-8-6-7-15(13-16)29-23(30)18-10-3-5-12-20(18)27-24(29)32-14-21-26-19-11-4-2-9-17(19)22(25)28-21/h2-13H,14H2,1H3,(H2,25,26,28)