2-diethylaminoethyl 4-[(2-chloranylquinazolin-4-yl)amino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[(2-chloranylquinazolin-4-yl)amino]benzoate Openeye Name: 2-diethylaminoethyl 4-[(2-chloroquinazolin-4-yl)amino]benzoate CAS Name: 4-[(2-chloro-4-quinazolinyl)amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(2-chloroquinazolin-4-yl)amino]benzoate Traditional Name: 4-[(2-chloroquinazolin-4-yl)amino]benzoic acid 2-diethylaminoethyl ester Formula: C21H23ClN4O2 MolecularWeight: 398.88592

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)Cl

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)Cl

InChI

InChI=1S/C21H23ClN4O2/c1-3-26(4-2)13-14-28-20(27)15-9-11-16(12-10-15)23-19-17-7-5-6-8-18(17)24-21(22)25-19/h5-12H,3-4,13-14H2,1-2H3,(H,23,24,25)