3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]propanamide

Systemtic Name: 3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]propanamide Openeye Name: 3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]propanamide CAS Name: 3-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]propanamide IUPAC Name: 3-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]propanamide Traditional Name: 3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]propionamide Formula: C13H13ClN6O3 MolecularWeight: 336.73372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=C(C(=N2)NCCC(=O)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=C(C(=N2)NCCC(=O)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H13ClN6O3/c14-8-1-3-9(4-2-8)18-13-17-7-10(20(22)23)12(19-13)16-6-5-11(15)21/h1-4,7H,5-6H2,(H2,15,21)(H2,16,17,18,19)