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

Systemtic Name: N4-(5-chloranyl-2-methyl-phenyl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2-methyl-phenyl)-N6-(4-isopropylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2-methylphenyl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2-methylphenyl)-5-nitro-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]-p-cumenyl-amine Formula: C20H20ClN5O2 MolecularWeight: 397.8581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C20H20ClN5O2/c1-12(2)14-5-8-16(9-6-14)24-19-18(26(27)28)20(23-11-22-19)25-17-10-15(21)7-4-13(17)3/h4-12H,1-3H3,(H2,22,23,24,25)