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

Systemtic Name: 3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-N-methyl-propanamide Openeye Name: 3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]-N-methyl-propanamide CAS Name: 3-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]-N-methylpropanamide IUPAC Name: 3-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]-N-methylpropanamide Traditional Name: 3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]-N-methyl-propionamide Formula: C14H15ClN6O3 MolecularWeight: 350.7603

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

Isomeric SMILES

CNC(=O)CCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H15ClN6O3/c1-16-12(22)6-7-17-13-11(21(23)24)8-18-14(20-13)19-10-4-2-9(15)3-5-10/h2-5,8H,6-7H2,1H3,(H,16,22)(H2,17,18,19,20)