N6-(5-chloranyl-2-methyl-phenyl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-(5-chloranyl-2-methyl-phenyl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(5-chloro-2-methyl-phenyl)-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(5-chloro-2-methylphenyl)-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(5-chloro-2-methylphenyl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C23H19ClN6O2 MolecularWeight: 446.88896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C23H19ClN6O2/c1-16-10-11-18(24)13-19(16)28-22-21(30(31)32)23(27-15-26-22)29(20-9-5-6-12-25-20)14-17-7-3-2-4-8-17/h2-13,15H,14H2,1H3,(H,26,27,28)