(4-azanylquinazolin-2-yl)methyl 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]benzoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]benzoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]benzoate CAS Name: 2-[(4-amino-2-quinazolinyl)methylthio]benzoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]benzoate Traditional Name: 2-[(4-aminoquinazolin-2-yl)methylthio]benzoic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C25H20N6O2S MolecularWeight: 468.5303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)COC(=O)C3=CC=CC=C3SCC4=NC5=CC=CC=C5C(=N4)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)COC(=O)C3=CC=CC=C3SCC4=NC5=CC=CC=C5C(=N4)N)N

InChI

InChI=1S/C25H20N6O2S/c26-23-15-7-1-4-10-18(15)28-21(30-23)13-33-25(32)17-9-3-6-12-20(17)34-14-22-29-19-11-5-2-8-16(19)24(27)31-22/h1-12H,13-14H2,(H2,26,28,30)(H2,27,29,31)