4-[5-[(4-azanylquinazolin-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)phthalazin-1-one

Systemtic Name: 4-[5-[(4-azanylquinazolin-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)phthalazin-1-one Openeye Name: 4-[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-benzyl-phthalazin-1-one CAS Name: 4-[5-[(4-amino-2-quinazolinyl)methylthio]-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 4-[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-benzylphthalazin-1-one Traditional Name: 4-[5-[(4-aminoquinazolin-2-yl)methylthio]-1,3,4-oxadiazol-2-yl]-2-benzyl-phthalazin-1-one Formula: C26H19N7O2S MolecularWeight: 493.53976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=NN=C(O4)SCC5=NC6=CC=CC=C6C(=N5)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=NN=C(O4)SCC5=NC6=CC=CC=C6C(=N5)N

InChI

InChI=1S/C26H19N7O2S/c27-23-19-12-6-7-13-20(19)28-21(29-23)15-36-26-31-30-24(35-26)22-17-10-4-5-11-18(17)25(34)33(32-22)14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H2,27,28,29)