N-(2-chloranylpyridin-3-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-(2-chloranylpyridin-3-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(2-chloro-3-pyridyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: N-(2-chloro-3-pyridinyl)-5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-(2-chloropyridin-3-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: (2-chloro-3-pyridyl)-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C19H18ClN7O2 MolecularWeight: 411.84492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NC4=C(N=CC=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NC4=C(N=CC=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN7O2/c20-17-15(7-4-8-21-17)24-18-16(27(28)29)19(23-13-22-18)26-11-9-25(10-12-26)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,22,23,24)