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

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]quinazolin-4-one Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]quinazolin-4-one CAS Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-3-[(4-methoxyphenyl)methyl]-4-quinazolinone IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]quinazolin-4-one Traditional Name: 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-3-p-anisyl-quinazolin-4-one Formula: C26H23N7O2S MolecularWeight: 497.57152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=NC(=N4)NC5=CC=CC=C5)N

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=NC(=N4)NC5=CC=CC=C5)N

InChI

InChI=1S/C26H23N7O2S/c1-35-19-13-11-17(12-14-19)15-33-23(34)20-9-5-6-10-21(20)29-26(33)36-16-22-30-24(27)32-25(31-22)28-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H3,27,28,30,31,32)