tert-butyl 4-(5-propylpyrimidin-2-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(5-propylpyrimidin-2-yl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(5-propylpyrimidin-2-yl)-1,4-diazepane-1-carboxylate CAS Name: 4-(5-propyl-2-pyrimidinyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-propylpyrimidin-2-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(5-propylpyrimidin-2-yl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C17H28N4O2 MolecularWeight: 320.42982

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1)N2CCCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCC1=CN=C(N=C1)N2CCCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H28N4O2/c1-5-7-14-12-18-15(19-13-14)20-8-6-9-21(11-10-20)16(22)23-17(2,3)4/h12-13H,5-11H2,1-4H3