3-[[[4-oxidanylidene-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]amino]carbamoylamino]benzoic acid

Systemtic Name: 3-[[[4-oxidanylidene-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]amino]carbamoylamino]benzoic acid Openeye Name: 3-[[[3-(3-isopropoxyphenyl)-4-oxo-quinazolin-2-yl]amino]carbamoylamino]benzoic acid CAS Name: 3-[[oxo-[[4-oxo-3-(3-propan-2-yloxyphenyl)-2-quinazolinyl]hydrazo]methyl]amino]benzoic acid IUPAC Name: 3-[[[4-oxo-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]amino]carbamoylamino]benzoic acid Traditional Name: 3-[[[3-(3-isopropoxyphenyl)-4-keto-quinazolin-2-yl]amino]carbamoylamino]benzoic acid Formula: C25H23N5O5 MolecularWeight: 473.48062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2NNC(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2NNC(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C25H23N5O5/c1-15(2)35-19-10-6-9-18(14-19)30-22(31)20-11-3-4-12-21(20)27-24(30)28-29-25(34)26-17-8-5-7-16(13-17)23(32)33/h3-15H,1-2H3,(H,27,28)(H,32,33)(H2,26,29,34)