N-(2-azanyl-2-oxidanylidene-ethyl)-1-[5-nitro-6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[5-nitro-6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[5-nitro-6-(2-thienylmethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[5-nitro-6-(thiophen-2-ylmethylamino)-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[5-nitro-6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[5-nitro-6-(2-thenylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C16H19N7O4S MolecularWeight: 405.43156

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=NC=N2)NCC3=CC=CS3)[N+](=O)[O-])C(=O)NCC(=O)N

Isomeric SMILES

C1CC(N(C1)C2=C(C(=NC=N2)NCC3=CC=CS3)[N+](=O)[O-])C(=O)NCC(=O)N

InChI

InChI=1S/C16H19N7O4S/c17-12(24)8-19-16(25)11-4-1-5-22(11)15-13(23(26)27)14(20-9-21-15)18-7-10-3-2-6-28-10/h2-3,6,9,11H,1,4-5,7-8H2,(H2,17,24)(H,19,25)(H,18,20,21)