N-(5-chloranyl-1,3-benzodioxol-4-yl)-7-methoxy-5-piperidin-4-yloxy-quinazolin-4-amine dihydrochloride

Systemtic Name: N-(5-chloranyl-1,3-benzodioxol-4-yl)-7-methoxy-5-piperidin-4-yloxy-quinazolin-4-amine dihydrochloride Openeye Name: N-(5-chloro-1,3-benzodioxol-4-yl)-7-methoxy-5-(4-piperidyloxy)quinazolin-4-amine dihydrochloride CAS Name: N-(5-chloro-1,3-benzodioxol-4-yl)-7-methoxy-5-(4-piperidinyloxy)-4-quinazolinamine dihydrochloride IUPAC Name: N-(5-chloro-1,3-benzodioxol-4-yl)-7-methoxy-5-piperidin-4-yloxyquinazolin-4-amine dihydrochloride Traditional Name: (5-chloro-1,3-benzodioxol-4-yl)-[7-methoxy-5-(4-piperidyloxy)quinazolin-4-yl]amine dihydrochloride Formula: C21H23Cl3N4O4 MolecularWeight: 501.79072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)N=CN=C2NC3=C(C=CC4=C3OCO4)Cl)OC5CCNCC5.Cl.Cl

Isomeric SMILES

COC1=CC(=C2C(=C1)N=CN=C2NC3=C(C=CC4=C3OCO4)Cl)OC5CCNCC5.Cl.Cl

InChI

InChI=1S/C21H21ClN4O4.2ClH/c1-27-13-8-15-18(17(9-13)30-12-4-6-23-7-5-12)21(25-10-24-15)26-19-14(22)2-3-16-20(19)29-11-28-16;;/h2-3,8-10,12,23H,4-7,11H2,1H3,(H,24,25,26);2*1H