N-(5-chloranyl-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine dihydrochloride

Systemtic Name: N-(5-chloranyl-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine dihydrochloride Openeye Name: N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine dihydrochloride CAS Name: N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-[3-(1-piperazinyl)propoxy]-4-quinazolinamine dihydrochloride IUPAC Name: N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine dihydrochloride Traditional Name: (5-chloro-1,3-benzodioxol-4-yl)-[6-methoxy-7-(3-piperazinopropoxy)quinazolin-4-yl]amine dihydrochloride Formula: C23H28Cl3N5O4 MolecularWeight: 544.85852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=CC4=C3OCO4)Cl)OCCCN5CCNCC5.Cl.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=CC4=C3OCO4)Cl)OCCCN5CCNCC5.Cl.Cl

InChI

InChI=1S/C23H26ClN5O4.2ClH/c1-30-19-11-15-17(12-20(19)31-10-2-7-29-8-5-25-6-9-29)26-13-27-23(15)28-21-16(24)3-4-18-22(21)33-14-32-18;;/h3-4,11-13,25H,2,5-10,14H2,1H3,(H,26,27,28);2*1H