5-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]pyridine-2-carboxylic acid

Systemtic Name: 5-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]pyridine-2-carboxylic acid Openeye Name: 5-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]pyridine-2-carboxylic acid CAS Name: 5-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-pyridinecarboxylic acid IUPAC Name: 5-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]pyridine-2-carboxylic acid Traditional Name: 5-[(4-keto-2,7-dimethyl-1H-quinazolin-6-yl)methyl-propargyl-amino]picolinic acid Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(CC#C)C3=CN=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(CC#C)C3=CN=C(C=C3)C(=O)O

InChI

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