2-methylpropyl 4-[(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]benzoate

Systemtic Name: 2-methylpropyl 4-[(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]benzoate Openeye Name: isobutyl 4-[(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[[5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(5-nitro-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(5-nitro-6-pyrrolidino-pyrimidin-4-yl)amino]benzoic acid isobutyl ester Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C19H23N5O4/c1-13(2)11-28-19(25)14-5-7-15(8-6-14)22-17-16(24(26)27)18(21-12-20-17)23-9-3-4-10-23/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,21,22)