2-azanyl-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoic acid

Systemtic Name: 2-azanyl-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoic acid Openeye Name: 2-amino-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoic acid CAS Name: 2-amino-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoic acid IUPAC Name: 2-amino-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoic acid Traditional Name: 2-amino-4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoic acid Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC(=C(C=C3)C(=O)O)N

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC(=C(C=C3)C(=O)O)N

InChI

InChI=1S/C20H18N4O3/c1-3-8-24(14-5-6-15(20(26)27)17(21)10-14)11-13-4-7-18-16(9-13)19(25)23-12(2)22-18/h1,4-7,9-10H,8,11,21H2,2H3,(H,26,27)(H,22,23,25)