N4-(3-bromophenyl)-N6-(3-morpholin-4-ylpropyl)-1,4,4a,8a-tetrahydroquinazoline-4,6-diamine

Systemtic Name: N4-(3-bromophenyl)-N6-(3-morpholin-4-ylpropyl)-1,4,4a,8a-tetrahydroquinazoline-4,6-diamine Openeye Name: N4-(3-bromophenyl)-N6-(3-morpholinopropyl)-1,4,4a,8a-tetrahydroquinazoline-4,6-diamine CAS Name: N4-(3-bromophenyl)-N6-[3-(4-morpholinyl)propyl]-1,4,4a,8a-tetrahydroquinazoline-4,6-diamine IUPAC Name: 4-N-(3-bromophenyl)-6-N-(3-morpholin-4-ylpropyl)-1,4,4a,8a-tetrahydroquinazoline-4,6-diamine Traditional Name: [4-(3-bromoanilino)-1,4,4a,8a-tetrahydroquinazolin-6-yl]-(3-morpholinopropyl)amine Formula: C21H28BrN5O MolecularWeight: 446.38392

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=CC3C(C=C2)NC=NC3NC4=CC(=CC=C4)Br

Isomeric SMILES

C1COCCN1CCCNC2=CC3C(C=C2)NC=NC3NC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H28BrN5O/c22-16-3-1-4-18(13-16)26-21-19-14-17(5-6-20(19)24-15-25-21)23-7-2-8-27-9-11-28-12-10-27/h1,3-6,13-15,19-21,23,26H,2,7-12H2,(H,24,25)