(2S)-N-(3,3-dimethylbutyl)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(3,3-dimethylbutyl)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(3,3-dimethylbutyl)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-(3,3-dimethylbutyl)-1-[4-(3-methylphenoxy)-2-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(3,3-dimethylbutyl)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(3,3-dimethylbutyl)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidine-2-carboxamide Formula: C22H30N4O2 MolecularWeight: 382.4992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCCC3C(=O)NCCC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCC[C@H]3C(=O)NCCC(C)(C)C

InChI

InChI=1S/C22H30N4O2/c1-16-7-5-8-17(15-16)28-19-10-12-24-21(25-19)26-14-6-9-18(26)20(27)23-13-11-22(2,3)4/h5,7-8,10,12,15,18H,6,9,11,13-14H2,1-4H3,(H,23,27)/t18-/m0/s1