N4-(3-bromophenyl)-N6-(3-morpholin-4-ylpropyl)quinazoline-4,6,7-triamine

Systemtic Name: N4-(3-bromophenyl)-N6-(3-morpholin-4-ylpropyl)quinazoline-4,6,7-triamine Openeye Name: N4-(3-bromophenyl)-N6-(3-morpholinopropyl)quinazoline-4,6,7-triamine CAS Name: N4-(3-bromophenyl)-N6-[3-(4-morpholinyl)propyl]quinazoline-4,6,7-triamine IUPAC Name: 4-N-(3-bromophenyl)-6-N-(3-morpholin-4-ylpropyl)quinazoline-4,6,7-triamine Traditional Name: [7-amino-4-(3-bromoanilino)quinazolin-6-yl]-(3-morpholinopropyl)amine Formula: C21H25BrN6O MolecularWeight: 457.3668

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=CC=C4)Br)N

Isomeric SMILES

C1COCCN1CCCNC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=CC=C4)Br)N

InChI

InChI=1S/C21H25BrN6O/c22-15-3-1-4-16(11-15)27-21-17-12-20(18(23)13-19(17)25-14-26-21)24-5-2-6-28-7-9-29-10-8-28/h1,3-4,11-14,24H,2,5-10,23H2,(H,25,26,27)