ethyl 1-[6-azanyl-4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]piperidine-4-carboxylate dihydrochloride

Systemtic Name: ethyl 1-[6-azanyl-4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]piperidine-4-carboxylate dihydrochloride Openeye Name: ethyl 1-[6-amino-4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]piperidine-4-carboxylate dihydrochloride CAS Name: 1-[6-amino-4-(1,3-benzodioxol-5-ylmethylamino)-2-quinazolinyl]-4-piperidinecarboxylic acid ethyl ester dihydrochloride IUPAC Name: ethyl 1-[6-amino-4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]piperidine-4-carboxylate dihydrochloride Traditional Name: 1-[6-amino-4-(piperonylamino)quinazolin-2-yl]isonipecotic acid ethyl ester dihydrochloride Formula: C24H29Cl2N5O4 MolecularWeight: 522.42416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC3=C(C=C(C=C3)N)C(=N2)NCC4=CC5=C(C=C4)OCO5.Cl.Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC3=C(C=C(C=C3)N)C(=N2)NCC4=CC5=C(C=C4)OCO5.Cl.Cl

InChI

InChI=1S/C24H27N5O4.2ClH/c1-2-31-23(30)16-7-9-29(10-8-16)24-27-19-5-4-17(25)12-18(19)22(28-24)26-13-15-3-6-20-21(11-15)33-14-32-20;;/h3-6,11-12,16H,2,7-10,13-14,25H2,1H3,(H,26,27,28);2*1H