6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amine Formula: C22H21ClN6O4 MolecularWeight: 468.89294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NC4=CC5=C(C=C4)OCCO5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NC4=CC5=C(C=C4)OCCO5)[N+](=O)[O-]

InChI

InChI=1S/C22H21ClN6O4/c23-15-2-1-3-17(12-15)27-6-8-28(9-7-27)22-20(29(30)31)21(24-14-25-22)26-16-4-5-18-19(13-16)33-11-10-32-18/h1-5,12-14H,6-11H2,(H,24,25,26)