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

Systemtic Name: 2-methylpropyl 4-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(propylamino)-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)OCC(C)C

Isomeric SMILES

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)OCC(C)C

InChI

InChI=1S/C18H23N5O4/c1-4-9-19-16-15(23(25)26)17(21-11-20-16)22-14-7-5-13(6-8-14)18(24)27-10-12(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H2,19,20,21,22)