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

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[2-cyanoethyl(cyclohexyl)amino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-[2-cyanoethyl(cyclohexyl)amino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-[2-cyanoethyl(cyclohexyl)amino]-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-[2-cyanoethyl(cyclohexyl)amino]-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-[2-cyanoethyl(cyclohexyl)amino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C20H28N8O4 MolecularWeight: 444.48752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CCC#N)C2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N

Isomeric SMILES

C1CCC(CC1)N(CCC#N)C2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N

InChI

InChI=1S/C20H28N8O4/c21-9-5-11-26(14-6-2-1-3-7-14)18-17(28(31)32)19(25-13-24-18)27-10-4-8-15(27)20(30)23-12-16(22)29/h13-15H,1-8,10-12H2,(H2,22,29)(H,23,30)