N-(3-bromophenyl)-7-(3-morpholin-4-ylpropoxy)-1,4,4a,8a-tetrahydroquinazolin-2-amine

Systemtic Name: N-(3-bromophenyl)-7-(3-morpholin-4-ylpropoxy)-1,4,4a,8a-tetrahydroquinazolin-2-amine Openeye Name: N-(3-bromophenyl)-7-(3-morpholinopropoxy)-1,4,4a,8a-tetrahydroquinazolin-2-amine CAS Name: N-(3-bromophenyl)-7-[3-(4-morpholinyl)propoxy]-1,4,4a,8a-tetrahydroquinazolin-2-amine IUPAC Name: N-(3-bromophenyl)-7-(3-morpholin-4-ylpropoxy)-1,4,4a,8a-tetrahydroquinazolin-2-amine Traditional Name: (3-bromophenyl)-[7-(3-morpholinopropoxy)-1,4,4a,8a-tetrahydroquinazolin-2-yl]amine Formula: C21H27BrN4O2 MolecularWeight: 447.36868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCOC2=CC3C(CN=C(N3)NC4=CC(=CC=C4)Br)C=C2

Isomeric SMILES

C1COCCN1CCCOC2=CC3C(CN=C(N3)NC4=CC(=CC=C4)Br)C=C2

InChI

InChI=1S/C21H27BrN4O2/c22-17-3-1-4-18(13-17)24-21-23-15-16-5-6-19(14-20(16)25-21)28-10-2-7-26-8-11-27-12-9-26/h1,3-6,13-14,16,20H,2,7-12,15H2,(H2,23,24,25)