(4-azanylquinazolin-2-yl)methyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C25H19N5O3 MolecularWeight: 437.45006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C25H19N5O3/c26-23-19-12-6-7-13-20(19)27-21(28-23)15-33-25(32)22-17-10-4-5-11-18(17)24(31)30(29-22)14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H2,26,27,28)