N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[2-cyanoethyl-(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[2-cyanoethyl-(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-[benzyl(2-cyanoethyl)amino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-[2-cyanoethyl-(phenylmethyl)amino]-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-[benzyl(2-cyanoethyl)amino]-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-[benzyl(2-cyanoethyl)amino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C21H24N8O4 MolecularWeight: 452.46646

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=NC=N2)N(CCC#N)CC3=CC=CC=C3)[N+](=O)[O-])C(=O)NCC(=O)N

Isomeric SMILES

C1CC(N(C1)C2=C(C(=NC=N2)N(CCC#N)CC3=CC=CC=C3)[N+](=O)[O-])C(=O)NCC(=O)N

InChI

InChI=1S/C21H24N8O4/c22-9-5-10-27(13-15-6-2-1-3-7-15)19-18(29(32)33)20(26-14-25-19)28-11-4-8-16(28)21(31)24-12-17(23)30/h1-3,6-7,14,16H,4-5,8,10-13H2,(H2,23,30)(H,24,31)