tert-butyl N-[3-[[9-chloranyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-3-oxidanylidene-propyl]carbamate

Systemtic Name: tert-butyl N-[3-[[9-chloranyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-[[9-chloro-2-(2-furyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-3-oxo-propyl]carbamate CAS Name: N-[3-[[9-chloro-2-(2-furanyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-3-oxopropyl]carbamate Traditional Name: N-[3-[[9-chloro-2-(2-furyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-3-keto-propyl]carbamic acid tert-butyl ester Formula: C21H21ClN6O4 MolecularWeight: 456.88224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)NC1=NC2=C(C=C(C=C2)Cl)C3=NC(=NN31)C4=CC=CO4

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)NC1=NC2=C(C=C(C=C2)Cl)C3=NC(=NN31)C4=CC=CO4

InChI

InChI=1S/C21H21ClN6O4/c1-21(2,3)32-20(30)23-9-8-16(29)25-19-24-14-7-6-12(22)11-13(14)18-26-17(27-28(18)19)15-5-4-10-31-15/h4-7,10-11H,8-9H2,1-3H3,(H,23,30)(H,24,25,29)