3-[(4-methylsulfanylphenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one

Systemtic Name: 3-[(4-methylsulfanylphenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one Openeye Name: 3-[(4-methylsulfanylphenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one CAS Name: 3-[[4-(methylthio)phenyl]methylamino]-2-(3,4,5-trimethoxyphenyl)-4-quinazolinone IUPAC Name: 3-[(4-methylsulfanylphenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one Traditional Name: 3-[[4-(methylthio)benzyl]amino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=O)N2NCC4=CC=C(C=C4)SC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=O)N2NCC4=CC=C(C=C4)SC

InChI

InChI=1S/C25H25N3O4S/c1-30-21-13-17(14-22(31-2)23(21)32-3)24-27-20-8-6-5-7-19(20)25(29)28(24)26-15-16-9-11-18(33-4)12-10-16/h5-14,26H,15H2,1-4H3