6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-N-[[4-(1,2,3-thiadiazol-4-yl)phenyl]methyl]pyrimidin-4-amine

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-N-[[4-(1,2,3-thiadiazol-4-yl)phenyl]methyl]pyrimidin-4-amine Openeye Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrimidin-4-amine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-N-[[4-(4-thiadiazolyl)phenyl]methyl]-4-pyrimidinamine IUPAC Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrimidin-4-amine Traditional Name: [6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-[4-(thiadiazol-4-yl)benzyl]amine Formula: C23H21ClN8O2S MolecularWeight: 508.98324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NCC4=CC=C(C=C4)C5=CSN=N5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NCC4=CC=C(C=C4)C5=CSN=N5)[N+](=O)[O-]

InChI

InChI=1S/C23H21ClN8O2S/c24-18-2-1-3-19(12-18)30-8-10-31(11-9-30)23-21(32(33)34)22(26-15-27-23)25-13-16-4-6-17(7-5-16)20-14-35-29-28-20/h1-7,12,14-15H,8-11,13H2,(H,25,26,27)