2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]ethanoic acid

Systemtic Name: 2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]ethanoic acid Openeye Name: 2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid CAS Name: 2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)-2-quinazolinyl]amino]phenyl]acetic acid IUPAC Name: 2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid Traditional Name: 2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid Formula: C20H18N6O2 MolecularWeight: 374.39592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC3=CC=CC=C3C(=N2)NC4=CC=NN4)CC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC3=CC=CC=C3C(=N2)NC4=CC=NN4)CC(=O)O

InChI

InChI=1S/C20H18N6O2/c1-12-10-14(7-6-13(12)11-18(27)28)22-20-23-16-5-3-2-4-15(16)19(25-20)24-17-8-9-21-26-17/h2-10H,11H2,1H3,(H,27,28)(H3,21,22,23,24,25,26)