N4-(5-chloranyl-2-methyl-phenyl)-5-nitro-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(5-chloranyl-2-methyl-phenyl)-5-nitro-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2-methyl-phenyl)-5-nitro-N6-[2-(1-piperidyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2-methylphenyl)-5-nitro-N6-[2-(1-piperidinyl)ethyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2-methylphenyl)-5-nitro-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]-(2-piperidinoethyl)amine Formula: C18H23ClN6O2 MolecularWeight: 390.86722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NCCN3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NCCN3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H23ClN6O2/c1-13-5-6-14(19)11-15(13)23-18-16(25(26)27)17(21-12-22-18)20-7-10-24-8-3-2-4-9-24/h5-6,11-12H,2-4,7-10H2,1H3,(H2,20,21,22,23)