N6-(3-chloranyl-2-methyl-phenyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(3-chloranyl-2-methyl-phenyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(3-chloro-2-methyl-phenyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-chloro-2-methylphenyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(3-chloro-2-methylphenyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(3-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C19H18ClN5O2 MolecularWeight: 383.83152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN5O2/c1-13-15(20)9-6-10-16(13)23-18-17(25(26)27)19(22-12-21-18)24(2)11-14-7-4-3-5-8-14/h3-10,12H,11H2,1-2H3,(H,21,22,23)