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

Systemtic Name: N-(2-chloranylpyridin-3-yl)-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(2-chloro-3-pyridyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(2-chloro-3-pyridinyl)-6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(2-chloropyridin-3-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-(2-chloro-3-pyridyl)amine Formula: C26H24ClN7O2 MolecularWeight: 501.96746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)NC3=C(N=CC=C3)Cl)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)NC3=C(N=CC=C3)Cl)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H24ClN7O2/c27-24-21(12-7-13-28-24)31-25-23(34(35)36)26(30-18-29-25)33-16-14-32(15-17-33)22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,22H,14-17H2,(H,29,30,31)