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

Systemtic Name: N4-(5-chloranyl-2-methyl-phenyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-benzyl-N4-(5-chloro-2-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2-methylphenyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-4-N-(5-chloro-2-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H16ClN5O2 MolecularWeight: 369.80494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN5O2/c1-12-7-8-14(19)9-15(12)23-18-16(24(25)26)17(21-11-22-18)20-10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H2,20,21,22,23)