N4-(4-chlorophenyl)-5-nitro-N2-prop-2-enyl-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(4-chlorophenyl)-5-nitro-N2-prop-2-enyl-pyrimidine-2,4,6-triamine Openeye Name: N2-allyl-N4-(4-chlorophenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(4-chlorophenyl)-5-nitro-N2-prop-2-enylpyrimidine-2,4,6-triamine IUPAC Name: 4-N-(4-chlorophenyl)-5-nitro-2-N-prop-2-enylpyrimidine-2,4,6-triamine Traditional Name: allyl-[4-amino-6-(4-chloroanilino)-5-nitro-pyrimidin-2-yl]amine Formula: C13H13ClN6O2 MolecularWeight: 320.73432

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=C(C(=N1)NC2=CC=C(C=C2)Cl)[N+](=O)[O-])N

Isomeric SMILES

C=CCNC1=NC(=C(C(=N1)NC2=CC=C(C=C2)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C13H13ClN6O2/c1-2-7-16-13-18-11(15)10(20(21)22)12(19-13)17-9-5-3-8(14)4-6-9/h2-6H,1,7H2,(H4,15,16,17,18,19)