1-tert-butyl-4-pyrimidin-2-yl-1,4-diazepane

Systemtic Name: 1-tert-butyl-4-pyrimidin-2-yl-1,4-diazepane Openeye Name: 1-tert-butyl-4-pyrimidin-2-yl-1,4-diazepane CAS Name: 1-tert-butyl-4-(2-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-tert-butyl-4-pyrimidin-2-yl-1,4-diazepane Traditional Name: 1-tert-butyl-4-(2-pyrimidyl)-1,4-diazepane Formula: C13H22N4 MolecularWeight: 234.34058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CCCN(CC1)C2=NC=CC=N2

Isomeric SMILES

CC(C)(C)N1CCCN(CC1)C2=NC=CC=N2

InChI

InChI=1S/C13H22N4/c1-13(2,3)17-9-5-8-16(10-11-17)12-14-6-4-7-15-12/h4,6-7H,5,8-11H2,1-3H3