tert-butyl 3-[[[4-oxidanylidene-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]amino]carbamoylamino]benzoate

Systemtic Name: tert-butyl 3-[[[4-oxidanylidene-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]amino]carbamoylamino]benzoate Openeye Name: tert-butyl 3-[[[3-(3-isopropoxyphenyl)-4-oxo-quinazolin-2-yl]amino]carbamoylamino]benzoate CAS Name: 3-[[oxo-[[4-oxo-3-(3-propan-2-yloxyphenyl)-2-quinazolinyl]hydrazo]methyl]amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[[4-oxo-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]amino]carbamoylamino]benzoate Traditional Name: 3-[[[3-(3-isopropoxyphenyl)-4-keto-quinazolin-2-yl]amino]carbamoylamino]benzoic acid tert-butyl ester Formula: C29H31N5O5 MolecularWeight: 529.58694

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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)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H31N5O5/c1-18(2)38-22-13-9-12-21(17-22)34-25(35)23-14-6-7-15-24(23)31-27(34)32-33-28(37)30-20-11-8-10-19(16-20)26(36)39-29(3,4)5/h6-18H,1-5H3,(H,31,32)(H2,30,33,37)