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

Systemtic Name: 4-[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]butanoic acid Openeye Name: 4-[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]butanoic acid CAS Name: 4-[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]butanoic acid IUPAC Name: 4-[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]butanoic acid Traditional Name: 4-[4-[(2-amino-4-keto-1H-quinazolin-6-yl)methyl-propargyl-amino]phenyl]butyric acid Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)N)C3=CC=C(C=C3)CCCC(=O)O

Isomeric SMILES

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)N)C3=CC=C(C=C3)CCCC(=O)O

InChI

InChI=1S/C22H22N4O3/c1-2-12-26(17-9-6-15(7-10-17)4-3-5-20(27)28)14-16-8-11-19-18(13-16)21(29)25-22(23)24-19/h1,6-11,13H,3-5,12,14H2,(H,27,28)(H3,23,24,25,29)