tert-butyl 2-[methyl-[5-nitro-6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]amino]ethanoate

Systemtic Name: tert-butyl 2-[methyl-[5-nitro-6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]amino]ethanoate Openeye Name: tert-butyl 2-[methyl-[5-nitro-6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]amino]acetate CAS Name: 2-[methyl-[5-nitro-6-[3-(1-pyrrolidinyl)propylamino]-4-pyrimidinyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[methyl-[5-nitro-6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]amino]acetate Traditional Name: 2-[methyl-[5-nitro-6-(3-pyrrolidinopropylamino)pyrimidin-4-yl]amino]acetic acid tert-butyl ester Formula: C18H30N6O4 MolecularWeight: 394.4686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NCCCN2CCCC2

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NCCCN2CCCC2

InChI

InChI=1S/C18H30N6O4/c1-18(2,3)28-14(25)12-22(4)17-15(24(26)27)16(20-13-21-17)19-8-7-11-23-9-5-6-10-23/h13H,5-12H2,1-4H3,(H,19,20,21)