2-[3-[[7-(3-chloranylpropoxy)quinazolin-4-yl]amino]-1H-pyrazol-5-yl]ethanoic acid

Systemtic Name: 2-[3-[[7-(3-chloranylpropoxy)quinazolin-4-yl]amino]-1H-pyrazol-5-yl]ethanoic acid Openeye Name: 2-[3-[[7-(3-chloropropoxy)quinazolin-4-yl]amino]-1H-pyrazol-5-yl]acetic acid CAS Name: 2-[3-[[7-(3-chloropropoxy)-4-quinazolinyl]amino]-1H-pyrazol-5-yl]acetic acid IUPAC Name: 2-[3-[[7-(3-chloropropoxy)quinazolin-4-yl]amino]-1H-pyrazol-5-yl]acetic acid Traditional Name: 2-[3-[[7-(3-chloropropoxy)quinazolin-4-yl]amino]-1H-pyrazol-5-yl]acetic acid Formula: C16H16ClN5O3 MolecularWeight: 361.78294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1OCCCCl)N=CN=C2NC3=NNC(=C3)CC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1OCCCCl)N=CN=C2NC3=NNC(=C3)CC(=O)O

InChI

InChI=1S/C16H16ClN5O3/c17-4-1-5-25-11-2-3-12-13(8-11)18-9-19-16(12)20-14-6-10(21-22-14)7-15(23)24/h2-3,6,8-9H,1,4-5,7H2,(H,23,24)(H2,18,19,20,21,22)