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

Systemtic Name: methyl 4-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(propylamino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O4/c1-3-8-16-13-12(20(22)23)14(18-9-17-13)19-11-6-4-10(5-7-11)15(21)24-2/h4-7,9H,3,8H2,1-2H3,(H2,16,17,18,19)