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

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-N-(3-nitrophenyl)pyrimidin-4-amine Openeye Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-N-(3-nitrophenyl)pyrimidin-4-amine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-N-(3-nitrophenyl)-4-pyrimidinamine IUPAC Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-N-(3-nitrophenyl)pyrimidin-4-amine Traditional Name: [6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(3-nitrophenyl)amine Formula: C20H18ClN7O4 MolecularWeight: 455.85442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN7O4/c21-14-3-1-5-16(11-14)25-7-9-26(10-8-25)20-18(28(31)32)19(22-13-23-20)24-15-4-2-6-17(12-15)27(29)30/h1-6,11-13H,7-10H2,(H,22,23,24)