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

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[(2-chloranyl-6-methyl-phenyl)methylamino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-[(2-chloro-6-methyl-phenyl)methylamino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-[(2-chloro-6-methylphenyl)methylamino]-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-[(2-chloro-6-methylphenyl)methylamino]-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-[(2-chloro-6-methyl-benzyl)amino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C19H22ClN7O4 MolecularWeight: 447.87548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N

InChI

InChI=1S/C19H22ClN7O4/c1-11-4-2-5-13(20)12(11)8-22-17-16(27(30)31)18(25-10-24-17)26-7-3-6-14(26)19(29)23-9-15(21)28/h2,4-5,10,14H,3,6-9H2,1H3,(H2,21,28)(H,23,29)(H,22,24,25)