1-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]pyrrolidine-2,5-dione

Systemtic Name: 1-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]pyrrolidine-2,5-dione Openeye Name: 1-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]pyrrolidine-2,5-dione CAS Name: 1-[4-[[4-(1-benzotriazolyl)-2-pyrimidinyl]amino]cyclohexyl]pyrrolidine-2,5-dione IUPAC Name: 1-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]pyrrolidine-2,5-dione Traditional Name: 1-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]pyrrolidine-2,5-quinone Formula: C20H21N7O2 MolecularWeight: 391.42644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=NC=CC(=N2)N3C4=CC=CC=C4N=N3)N5C(=O)CCC5=O

Isomeric SMILES

C1CC(CCC1NC2=NC=CC(=N2)N3C4=CC=CC=C4N=N3)N5C(=O)CCC5=O

InChI

InChI=1S/C20H21N7O2/c28-18-9-10-19(29)26(18)14-7-5-13(6-8-14)22-20-21-12-11-17(23-20)27-16-4-2-1-3-15(16)24-25-27/h1-4,11-14H,5-10H2,(H,21,22,23)