N-[5-azanyl-6-[(2S)-2-cyanopyrrolidin-1-yl]-6-oxidanylidene-hexyl]pyrazine-2-carboxamide

Systemtic Name: N-[5-azanyl-6-[(2S)-2-cyanopyrrolidin-1-yl]-6-oxidanylidene-hexyl]pyrazine-2-carboxamide Openeye Name: N-[5-amino-6-[(2S)-2-cyanopyrrolidin-1-yl]-6-oxo-hexyl]pyrazine-2-carboxamide CAS Name: N-[5-amino-6-[(2S)-2-cyano-1-pyrrolidinyl]-6-oxohexyl]-2-pyrazinecarboxamide IUPAC Name: N-[5-amino-6-[(2S)-2-cyanopyrrolidin-1-yl]-6-oxohexyl]pyrazine-2-carboxamide Traditional Name: N-[5-amino-6-[(2S)-2-cyanopyrrolidino]-6-keto-hexyl]pyrazinamide Formula: C16H22N6O2 MolecularWeight: 330.38488

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCNC(=O)C2=NC=CN=C2)N)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C(CCCCNC(=O)C2=NC=CN=C2)N)C#N

InChI

InChI=1S/C16H22N6O2/c17-10-12-4-3-9-22(12)16(24)13(18)5-1-2-6-21-15(23)14-11-19-7-8-20-14/h7-8,11-13H,1-6,9,18H2,(H,21,23)/t12-,13?/m0/s1