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4-[(6-azanyl-4-oxidanylidene-quinazolin-3-yl)methyl]benzoic acid

4-[(6-azanyl-4-oxidanylidene-quinazolin-3-yl)methyl]benzoic acid

Systemtic Name:4-[(6-azanyl-4-oxidanylidene-quinazolin-3-yl)methyl]benzoic acid
Openeye Name:4-[(6-amino-4-oxo-quinazolin-3-yl)methyl]benzoic acid
CAS Name:4-[(6-amino-4-oxo-3-quinazolinyl)methyl]benzoic acid
IUPAC Name:4-[(6-amino-4-oxoquinazolin-3-yl)methyl]benzoic acid
Traditional Name:4-[(6-amino-4-keto-quinazolin-3-yl)methyl]benzoic acid
Formula: C16H13N3O3
MolecularWeight: 295.29272
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C(C2=O)C=C(C=C3)N)C(=O)O


Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C(C2=O)C=C(C=C3)N)C(=O)O


InChI

InChI=1S/C16H13N3O3/c17-12-5-6-14-13(7-12)15(20)19(9-18-14)8-10-1-3-11(4-2-10)16(21)22/h1-7,9H,8,17H2,(H,21,22)


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