tert-butyl 4-(6-azanylpyrimidin-4-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(6-azanylpyrimidin-4-yl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(6-aminopyrimidin-4-yl)-1,4-diazepane-1-carboxylate CAS Name: 4-(6-amino-4-pyrimidinyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-aminopyrimidin-4-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(6-aminopyrimidin-4-yl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C14H23N5O2 MolecularWeight: 293.36472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC(=NC=N2)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC(=NC=N2)N

InChI

InChI=1S/C14H23N5O2/c1-14(2,3)21-13(20)19-6-4-5-18(7-8-19)12-9-11(15)16-10-17-12/h9-10H,4-8H2,1-3H3,(H2,15,16,17)