N4-[2,3-bis(chloranyl)phenyl]-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine

Systemtic Name: N4-[2,3-bis(chloranyl)phenyl]-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N6-allyl-N4-(2,3-dichlorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,3-dichlorophenyl)-5-nitro-N6-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 4-N-(2,3-dichlorophenyl)-5-nitro-6-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: allyl-[6-(2,3-dichloroanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C13H11Cl2N5O2 MolecularWeight: 340.16474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11Cl2N5O2/c1-2-6-16-12-11(20(21)22)13(18-7-17-12)19-9-5-3-4-8(14)10(9)15/h2-5,7H,1,6H2,(H2,16,17,18,19)