N-(2-azanyl-2-oxidanylidene-ethyl)-1-[5-nitro-6-(2,4,4-trimethylpentan-2-ylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[5-nitro-6-(2,4,4-trimethylpentan-2-ylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[5-nitro-6-(1,1,3,3-tetramethylbutylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[5-nitro-6-(2,4,4-trimethylpentan-2-ylamino)-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[5-nitro-6-(2,4,4-trimethylpentan-2-ylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[5-nitro-6-(1,1,3,3-tetramethylbutylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C19H31N7O4 MolecularWeight: 421.49394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCCC2C(=O)NCC(=O)N

Isomeric SMILES

CC(C)(C)CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCCC2C(=O)NCC(=O)N

InChI

InChI=1S/C19H31N7O4/c1-18(2,3)10-19(4,5)24-15-14(26(29)30)16(23-11-22-15)25-8-6-7-12(25)17(28)21-9-13(20)27/h11-12H,6-10H2,1-5H3,(H2,20,27)(H,21,28)(H,22,23,24)