N-(5-chloranyl-1,3-benzodioxol-4-yl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5-(oxan-4-yloxy)quinazolin-4-amine

Systemtic Name: N-(5-chloranyl-1,3-benzodioxol-4-yl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5-(oxan-4-yloxy)quinazolin-4-amine Openeye Name: N-(5-chloro-1,3-benzodioxol-4-yl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5-tetrahydropyran-4-yloxy-quinazolin-4-amine CAS Name: N-(5-chloro-1,3-benzodioxol-4-yl)-7-[3-(4-methyl-1-piperazinyl)propoxy]-5-(4-oxanyloxy)-4-quinazolinamine IUPAC Name: N-(5-chloro-1,3-benzodioxol-4-yl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5-(oxan-4-yloxy)quinazolin-4-amine Traditional Name: (5-chloro-1,3-benzodioxol-4-yl)-[7-[3-(4-methylpiperazino)propoxy]-5-tetrahydropyran-4-yloxy-quinazolin-4-yl]amine Formula: C28H34ClN5O5 MolecularWeight: 556.05306

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCOC2=CC(=C3C(=C2)N=CN=C3NC4=C(C=CC5=C4OCO5)Cl)OC6CCOCC6

Isomeric SMILES

CN1CCN(CC1)CCCOC2=CC(=C3C(=C2)N=CN=C3NC4=C(C=CC5=C4OCO5)Cl)OC6CCOCC6

InChI

InChI=1S/C28H34ClN5O5/c1-33-8-10-34(11-9-33)7-2-12-36-20-15-22-25(24(16-20)39-19-5-13-35-14-6-19)28(31-17-30-22)32-26-21(29)3-4-23-27(26)38-18-37-23/h3-4,15-17,19H,2,5-14,18H2,1H3,(H,30,31,32)