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

Systemtic Name: N6-(5-chloranyl-2-methyl-phenyl)-N4,N4-bis(2-methylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(5-chloro-2-methyl-phenyl)-N4,N4-diisobutyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(5-chloro-2-methylphenyl)-N4,N4-bis(2-methylpropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(5-chloro-2-methylphenyl)-4-N,4-N-bis(2-methylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]-diisobutyl-amine Formula: C19H26ClN5O2 MolecularWeight: 391.89504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClN5O2/c1-12(2)9-24(10-13(3)4)19-17(25(26)27)18(21-11-22-19)23-16-8-15(20)7-6-14(16)5/h6-8,11-13H,9-10H2,1-5H3,(H,21,22,23)