N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[(3-bromophenyl)methylamino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[(3-bromophenyl)methylamino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-[(3-bromophenyl)methylamino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-[(3-bromophenyl)methylamino]-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-[(3-bromophenyl)methylamino]-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-[(3-bromobenzyl)amino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C18H20BrN7O4 MolecularWeight: 478.2999

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=NC=N2)NCC3=CC(=CC=C3)Br)[N+](=O)[O-])C(=O)NCC(=O)N

Isomeric SMILES

C1CC(N(C1)C2=C(C(=NC=N2)NCC3=CC(=CC=C3)Br)[N+](=O)[O-])C(=O)NCC(=O)N

InChI

InChI=1S/C18H20BrN7O4/c19-12-4-1-3-11(7-12)8-21-16-15(26(29)30)17(24-10-23-16)25-6-2-5-13(25)18(28)22-9-14(20)27/h1,3-4,7,10,13H,2,5-6,8-9H2,(H2,20,27)(H,22,28)(H,21,23,24)