N2-(4-chlorophenyl)-5-nitro-N4-prop-2-ynyl-pyrimidine-2,4-diamine

Systemtic Name: N2-(4-chlorophenyl)-5-nitro-N4-prop-2-ynyl-pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-5-nitro-N4-prop-2-ynyl-pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-5-nitro-N4-prop-2-ynylpyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-5-nitro-4-N-prop-2-ynylpyrimidine-2,4-diamine Traditional Name: [2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-propargyl-amine Formula: C13H10ClN5O2 MolecularWeight: 303.7038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClN5O2/c1-2-7-15-12-11(19(20)21)8-16-13(18-12)17-10-5-3-9(14)4-6-10/h1,3-6,8H,7H2,(H2,15,16,17,18)