N-[2-(2-chloranylphenoxy)ethyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-[2-(2-chloranylphenoxy)ethyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-[2-(2-chlorophenoxy)ethyl]-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-[2-(2-chlorophenoxy)ethyl]-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-[2-(2-chlorophenoxy)ethyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: 2-(2-chlorophenoxy)ethyl-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C21H22ClN7O3 MolecularWeight: 455.89748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NCCOC4=CC=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NCCOC4=CC=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN7O3/c22-16-5-1-2-6-17(16)32-14-9-24-20-19(29(30)31)21(26-15-25-20)28-12-10-27(11-13-28)18-7-3-4-8-23-18/h1-8,15H,9-14H2,(H,24,25,26)