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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN5O2/c1-13-7-8-15(20)11-16(13)24-19-17(25(26)27)18(22-12-23-19)21-10-9-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H2,21,22,23,24)