methyl 4-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]benzoate hydrochloride

Systemtic Name: methyl 4-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]benzoate hydrochloride Openeye Name: methyl 4-[[4-(2-furylmethylamino)quinazolin-2-yl]amino]benzoate hydrochloride CAS Name: 4-[[4-(2-furanylmethylamino)-2-quinazolinyl]amino]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]benzoate hydrochloride Traditional Name: 4-[[4-(2-furfurylamino)quinazolin-2-yl]amino]benzoic acid methyl ester hydrochloride Formula: C21H19ClN4O3 MolecularWeight: 410.85356

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CO4.Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CO4.Cl

InChI

InChI=1S/C21H18N4O3.ClH/c1-27-20(26)14-8-10-15(11-9-14)23-21-24-18-7-3-2-6-17(18)19(25-21)22-13-16-5-4-12-28-16;/h2-12H,13H2,1H3,(H2,22,23,24,25);1H