[6-(2,2-dimethylpropylamino)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone

Systemtic Name: [6-(2,2-dimethylpropylamino)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [6-(2,2-dimethylpropylamino)-3-pyridyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone CAS Name: [6-(2,2-dimethylpropylamino)-3-pyridinyl]-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [6-(2,2-dimethylpropylamino)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [6-(neopentylamino)-3-pyridyl]-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methanone Formula: C20H28N6O MolecularWeight: 368.47592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)(C)CNC1=NC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H28N6O/c1-20(2,3)15-24-17-7-6-16(14-23-17)18(27)25-10-5-11-26(13-12-25)19-21-8-4-9-22-19/h4,6-9,14H,5,10-13,15H2,1-3H3,(H,23,24)