3-[[5-chloranyl-2-(2,2-dimethylpropoxy)-3-methoxy-phenyl]methylideneamino]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[[5-chloranyl-2-(2,2-dimethylpropoxy)-3-methoxy-phenyl]methylideneamino]-1H-quinazoline-2,4-dione Openeye Name: 3-[[5-chloro-2-(2,2-dimethylpropoxy)-3-methoxy-phenyl]methyleneamino]-1H-quinazoline-2,4-dione CAS Name: 3-[[5-chloro-2-(2,2-dimethylpropoxy)-3-methoxyphenyl]methylideneamino]-1H-quinazoline-2,4-dione IUPAC Name: 3-[[5-chloro-2-(2,2-dimethylpropoxy)-3-methoxyphenyl]methylideneamino]-1H-quinazoline-2,4-dione Traditional Name: 3-[(5-chloro-3-methoxy-2-neopentyloxy-benzylidene)amino]-1H-quinazoline-2,4-quinone Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=C(C=C(C=C1C=NN2C(=O)C3=CC=CC=C3NC2=O)Cl)OC

Isomeric SMILES

CC(C)(C)COC1=C(C=C(C=C1C=NN2C(=O)C3=CC=CC=C3NC2=O)Cl)OC

InChI

InChI=1S/C21H22ClN3O4/c1-21(2,3)12-29-18-13(9-14(22)10-17(18)28-4)11-23-25-19(26)15-7-5-6-8-16(15)24-20(25)27/h5-11H,12H2,1-4H3,(H,24,27)