2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one CAS Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-3-(3-methoxyphenyl)-4-quinazolinone IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-3-(3-methoxyphenyl)quinazolin-4-one Formula: C25H21N7O2S MolecularWeight: 483.54494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=NC(=N4)NC5=CC=CC=C5)N

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=NC(=N4)NC5=CC=CC=C5)N

InChI

InChI=1S/C25H21N7O2S/c1-34-18-11-7-10-17(14-18)32-22(33)19-12-5-6-13-20(19)28-25(32)35-15-21-29-23(26)31-24(30-21)27-16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H3,26,27,29,30,31)