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

Systemtic Name: N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine dihydrochloride Openeye Name: N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine dihydrochloride CAS Name: N-(1,3-benzodioxol-4-yl)-6-methoxy-7-[3-(1-piperazinyl)propoxy]-4-quinazolinamine dihydrochloride IUPAC Name: N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine dihydrochloride Traditional Name: 1,3-benzodioxol-4-yl-[6-methoxy-7-(3-piperazinopropoxy)quinazolin-4-yl]amine dihydrochloride Formula: C23H29Cl2N5O4 MolecularWeight: 510.41346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C4C(=CC=C3)OCO4)OCCCN5CCNCC5.Cl.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C4C(=CC=C3)OCO4)OCCCN5CCNCC5.Cl.Cl

InChI

InChI=1S/C23H27N5O4.2ClH/c1-29-20-12-16-18(13-21(20)30-11-3-8-28-9-6-24-7-10-28)25-14-26-23(16)27-17-4-2-5-19-22(17)32-15-31-19;;/h2,4-5,12-14,24H,3,6-11,15H2,1H3,(H,25,26,27);2*1H