2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-6,7-dimethoxy-3-phenyl-quinazolin-4-one

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-6,7-dimethoxy-3-phenyl-quinazolin-4-one Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-6,7-dimethoxy-3-phenyl-quinazolin-4-one CAS Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-6,7-dimethoxy-3-phenyl-4-quinazolinone IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-6,7-dimethoxy-3-phenylquinazolin-4-one Traditional Name: 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-6,7-dimethoxy-3-phenyl-quinazolin-4-one Formula: C26H23N7O3S MolecularWeight: 513.57092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N)C5=CC=CC=C5)OC

InChI

InChI=1S/C26H23N7O3S/c1-35-20-13-18-19(14-21(20)36-2)29-26(33(23(18)34)17-11-7-4-8-12-17)37-15-22-30-24(27)32-25(31-22)28-16-9-5-3-6-10-16/h3-14H,15H2,1-2H3,(H3,27,28,30,31,32)