N4-(3-bromophenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline-4,6-diamine

Systemtic Name: N4-(3-bromophenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline-4,6-diamine Openeye Name: N4-(3-bromophenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline-4,6-diamine CAS Name: N4-(3-bromophenyl)-7-[3-(4-methyl-1-piperazinyl)propoxy]quinazoline-4,6-diamine IUPAC Name: 4-N-(3-bromophenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline-4,6-diamine Traditional Name: [6-amino-7-[3-(4-methylpiperazino)propoxy]quinazolin-4-yl]-(3-bromophenyl)amine Formula: C22H27BrN6O MolecularWeight: 471.39338

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=CC=C4)Br)N

Isomeric SMILES

CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=CC=C4)Br)N

InChI

InChI=1S/C22H27BrN6O/c1-28-7-9-29(10-8-28)6-3-11-30-21-14-20-18(13-19(21)24)22(26-15-25-20)27-17-5-2-4-16(23)12-17/h2,4-5,12-15H,3,6-11,24H2,1H3,(H,25,26,27)