6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine

Systemtic Name: 6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine Openeye Name: 6-(4-chloro-3-methyl-phenoxy)-5-nitro-N-[2-(1-piperidyl)ethyl]pyrimidin-4-amine CAS Name: 6-(4-chloro-3-methylphenoxy)-5-nitro-N-[2-(1-piperidinyl)ethyl]-4-pyrimidinamine IUPAC Name: 6-(4-chloro-3-methylphenoxy)-5-nitro-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine Traditional Name: [6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(2-piperidinoethyl)amine Formula: C18H22ClN5O3 MolecularWeight: 391.85198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCN3CCCCC3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCN3CCCCC3)Cl

InChI

InChI=1S/C18H22ClN5O3/c1-13-11-14(5-6-15(13)19)27-18-16(24(25)26)17(21-12-22-18)20-7-10-23-8-3-2-4-9-23/h5-6,11-12H,2-4,7-10H2,1H3,(H,20,21,22)