ethyl 4-(quinazolin-4-ylamino)benzoate; molecular hydrogen; hydrochloride

Systemtic Name: ethyl 4-(quinazolin-4-ylamino)benzoate; molecular hydrogen; hydrochloride Openeye Name: ethyl 4-(quinazolin-4-ylamino)benzoate; molecular hydrogen; hydrochloride CAS Name: molecular hydrogen; 4-(4-quinazolinylamino)benzoic acid ethyl ester; hydrochloride IUPAC Name: ethyl 4-(quinazolin-4-ylamino)benzoate; molecular hydrogen; hydrochloride Traditional Name: molecular hydrogen; 4-(quinazolin-4-ylamino)benzoic acid ethyl ester; hydrochloride Formula: C17H18ClN3O2 MolecularWeight: 331.79672

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Descriptors Computed from Structure

Canonical SMILES:

[HH].CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC3=CC=CC=C32.Cl

Isomeric SMILES

[HH].CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC3=CC=CC=C32.Cl

InChI

InChI=1S/C17H15N3O2.ClH.H2/c1-2-22-17(21)12-7-9-13(10-8-12)20-16-14-5-3-4-6-15(14)18-11-19-16;;/h3-11H,2H2,1H3,(H,18,19,20);2*1H