N-[(E)-1-pyrimidin-4-ylethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide

Systemtic Name: N-[(E)-1-pyrimidin-4-ylethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide Openeye Name: N-[(E)-1-pyrimidin-4-ylethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide CAS Name: N-[(E)-1-(4-pyrimidinyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide IUPAC Name: N-[(E)-1-pyrimidin-4-ylethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide Traditional Name: N-[(E)-1-(4-pyrimidyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide Formula: C15H21N5S MolecularWeight: 303.42574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N1CC2CCC(C1)CC2)C3=NC=NC=C3

Isomeric SMILES

C/C(=N\NC(=S)N1CC2CCC(C1)CC2)/C3=NC=NC=C3

InChI

InChI=1S/C15H21N5S/c1-11(14-6-7-16-10-17-14)18-19-15(21)20-8-12-2-3-13(9-20)5-4-12/h6-7,10,12-13H,2-5,8-9H2,1H3,(H,19,21)/b18-11+