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

Systemtic Name: 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]quinazolin-4-one Openeye Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]quinazolin-4-one CAS Name: 2-[(4-amino-2-quinazolinyl)methylthio]-3-[(4-methoxyphenyl)methyl]-4-quinazolinone IUPAC Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]quinazolin-4-one Traditional Name: 2-[(4-aminoquinazolin-2-yl)methylthio]-3-p-anisyl-quinazolin-4-one Formula: C25H21N5O2S MolecularWeight: 455.53154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C25H21N5O2S/c1-32-17-12-10-16(11-13-17)14-30-24(31)19-7-3-5-9-21(19)28-25(30)33-15-22-27-20-8-4-2-6-18(20)23(26)29-22/h2-13H,14-15H2,1H3,(H2,26,27,29)