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

Systemtic Name: 6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-N-(3-nitrophenyl)pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-5-nitro-N-(3-nitrophenyl)pyrimidin-4-amine CAS Name: 6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-N-(3-nitrophenyl)-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-5-nitro-N-(3-nitrophenyl)pyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-(3-nitrophenyl)amine Formula: C27H25N7O4 MolecularWeight: 511.5319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N7O4/c35-33(36)23-13-7-12-22(18-23)30-26-25(34(37)38)27(29-19-28-26)32-16-14-31(15-17-32)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18-19,24H,14-17H2,(H,28,29,30)