2-[[azanyl-[(4,6-dimethylquinazolin-2-yl)amino]methylidene]carbamoyl]benzoic acid

Systemtic Name: 2-[[azanyl-[(4,6-dimethylquinazolin-2-yl)amino]methylidene]carbamoyl]benzoic acid Openeye Name: 2-[[amino-[(4,6-dimethylquinazolin-2-yl)amino]methylene]carbamoyl]benzoic acid CAS Name: 2-[[[amino-[(4,6-dimethyl-2-quinazolinyl)amino]methylidene]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[amino-[(4,6-dimethylquinazolin-2-yl)amino]methylidene]carbamoyl]benzoic acid Traditional Name: 2-[[amino-[(4,6-dimethylquinazolin-2-yl)amino]methylene]carbamoyl]benzoic acid Formula: C19H17N5O3 MolecularWeight: 363.36998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2C)NC(=NC(=O)C3=CC=CC=C3C(=O)O)N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2C)NC(=NC(=O)C3=CC=CC=C3C(=O)O)N

InChI

InChI=1S/C19H17N5O3/c1-10-7-8-15-14(9-10)11(2)21-19(22-15)24-18(20)23-16(25)12-5-3-4-6-13(12)17(26)27/h3-9H,1-2H3,(H,26,27)(H3,20,21,22,23,24,25)