[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]-morpholin-4-yl-methanone

Systemtic Name: [4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]-morpholin-4-yl-methanone Openeye Name: [4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]-morpholino-methanone CAS Name: [4-[[4-(1-benzotriazolyl)-2-pyrimidinyl]amino]cyclohexyl]-(4-morpholinyl)methanone IUPAC Name: [4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]-morpholin-4-ylmethanone Traditional Name: [4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]-morpholino-methanone Formula: C21H25N7O2 MolecularWeight: 407.4689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)N2CCOCC2)NC3=NC=CC(=N3)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CC(CCC1C(=O)N2CCOCC2)NC3=NC=CC(=N3)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H25N7O2/c29-20(27-11-13-30-14-12-27)15-5-7-16(8-6-15)23-21-22-10-9-19(24-21)28-18-4-2-1-3-17(18)25-26-28/h1-4,9-10,15-16H,5-8,11-14H2,(H,22,23,24)