N-(2-chloranylpyridin-3-yl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(2-chloranylpyridin-3-yl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-(2-chloro-3-pyridyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(2-chloro-3-pyridinyl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-(2-chloropyridin-3-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(2-chloro-3-pyridyl)amine Formula: C20H20ClN7O2 MolecularWeight: 425.8715

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=C(N=CC=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=C(N=CC=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN7O2/c21-18-16(7-4-8-22-18)25-19-17(28(29)30)20(24-14-23-19)27-11-9-26(10-12-27)13-15-5-2-1-3-6-15/h1-8,14H,9-13H2,(H,23,24,25)