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

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-N-phenethyl-pyrimidin-4-amine Openeye Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-N-phenethyl-pyrimidin-4-amine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-N-phenethyl-4-pyrimidinamine IUPAC Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-N-phenethylpyrimidin-4-amine Traditional Name: [6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-phenethyl-amine Formula: C22H23ClN6O2 MolecularWeight: 438.91002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NCCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NCCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23ClN6O2/c23-18-7-4-8-19(15-18)27-11-13-28(14-12-27)22-20(29(30)31)21(25-16-26-22)24-10-9-17-5-2-1-3-6-17/h1-8,15-16H,9-14H2,(H,24,25,26)