tert-butyl 4-azanyl-2-[(E)-(2-azanylpyrimidin-4-yl)methylideneamino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-azanyl-2-[(E)-(2-azanylpyrimidin-4-yl)methylideneamino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-amino-2-[(E)-(2-aminopyrimidin-4-yl)methyleneamino]piperidine-1-carboxylate CAS Name: 4-amino-2-[(E)-(2-amino-4-pyrimidinyl)methylideneamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-2-[(E)-(2-aminopyrimidin-4-yl)methylideneamino]piperidine-1-carboxylate Traditional Name: 4-amino-2-[(E)-(2-aminopyrimidin-4-yl)methyleneamino]piperidine-1-carboxylic acid tert-butyl ester Formula: C15H24N6O2 MolecularWeight: 320.39006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1N=CC2=NC(=NC=C2)N)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1/N=C/C2=NC(=NC=C2)N)N

InChI

InChI=1S/C15H24N6O2/c1-15(2,3)23-14(22)21-7-5-10(16)8-12(21)19-9-11-4-6-18-13(17)20-11/h4,6,9-10,12H,5,7-8,16H2,1-3H3,(H2,17,18,20)/b19-9+