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

Systemtic Name: N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine CAS Name: N-(1,3-benzodioxol-4-yl)-6-methoxy-7-[3-(1-piperazinyl)propoxy]-4-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine Traditional Name: 1,3-benzodioxol-4-yl-[6-methoxy-7-(3-piperazinopropoxy)quinazolin-4-yl]amine Formula: C23H27N5O4 MolecularWeight: 437.49158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O4/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)