4-(6-imidazol-1-yl-2-morpholin-4-yl-3-piperazin-1-yl-2H-1,3,5-triazin-4-yl)aniline

Systemtic Name: 4-(6-imidazol-1-yl-2-morpholin-4-yl-3-piperazin-1-yl-2H-1,3,5-triazin-4-yl)aniline Openeye Name: 4-(6-imidazol-1-yl-2-morpholino-3-piperazin-1-yl-2H-1,3,5-triazin-4-yl)aniline CAS Name: 4-[6-(1-imidazolyl)-2-(4-morpholinyl)-3-(1-piperazinyl)-2H-1,3,5-triazin-4-yl]aniline IUPAC Name: 4-(6-imidazol-1-yl-2-morpholin-4-yl-3-piperazin-1-yl-2H-1,3,5-triazin-4-yl)aniline Traditional Name: [4-(6-imidazol-1-yl-2-morpholino-3-piperazino-2H-s-triazin-4-yl)phenyl]amine Formula: C20H27N9O MolecularWeight: 409.48808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)N2C(N=C(N=C2C3=CC=C(C=C3)N)N4C=CN=C4)N5CCOCC5

Isomeric SMILES

C1CN(CCN1)N2C(N=C(N=C2C3=CC=C(C=C3)N)N4C=CN=C4)N5CCOCC5

InChI

InChI=1S/C20H27N9O/c21-17-3-1-16(2-4-17)18-24-19(27-8-5-23-15-27)25-20(26-11-13-30-14-12-26)29(18)28-9-6-22-7-10-28/h1-5,8,15,20,22H,6-7,9-14,21H2