[7-acetyloxy-4-[(3-ethynylphenyl)amino]quinazolin-6-yl] ethanoate hydrochloride

Systemtic Name: [7-acetyloxy-4-[(3-ethynylphenyl)amino]quinazolin-6-yl] ethanoate hydrochloride Openeye Name: [7-acetoxy-4-(3-ethynylanilino)quinazolin-6-yl] acetate hydrochloride CAS Name: acetic acid [7-acetyloxy-4-(3-ethynylanilino)-6-quinazolinyl] ester hydrochloride IUPAC Name: [7-acetyloxy-4-(3-ethynylanilino)quinazolin-6-yl] acetate hydrochloride Traditional Name: acetic acid [7-acetoxy-4-(3-ethynylanilino)quinazolin-6-yl] ester hydrochloride Formula: C20H16ClN3O4 MolecularWeight: 397.81174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OC(=O)C.Cl

Isomeric SMILES

CC(=O)OC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OC(=O)C.Cl

InChI

InChI=1S/C20H15N3O4.ClH/c1-4-14-6-5-7-15(8-14)23-20-16-9-18(26-12(2)24)19(27-13(3)25)10-17(16)21-11-22-20;/h1,5-11H,2-3H3,(H,21,22,23);1H