N4-(2-chloranylpyridin-3-yl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(2-chloranylpyridin-3-yl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-benzyl-N4-(2-chloro-3-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2-chloro-3-pyridinyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-4-N-(2-chloropyridin-3-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-[(2-chloro-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C16H13ClN6O2 MolecularWeight: 356.76642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(N=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(N=CC=C3)Cl

InChI

InChI=1S/C16H13ClN6O2/c17-14-12(7-4-8-18-14)22-16-13(23(24)25)15(20-10-21-16)19-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,19,20,21,22)