2-[[4-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[4-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[4-[(4-keto-2,7-dimethyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]-3-methyl-butyric acid Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O4/c1-6-11-30(14-19-13-21-22(12-16(19)4)27-17(5)28-25(21)32)20-9-7-18(8-10-20)24(31)29-23(15(2)3)26(33)34/h1,7-10,12-13,15,23H,11,14H2,2-5H3,(H,29,31)(H,33,34)(H,27,28,32)