4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidine

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidine Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidine CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-6-[(4-chlorophenyl)thio]-5-nitropyrimidine IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-chlorophenyl)sulfanyl-5-nitropyrimidine Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-6-[(4-chlorophenyl)thio]-5-nitro-pyrimidine Formula: C20H17Cl2N5O2S MolecularWeight: 462.35228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H17Cl2N5O2S/c21-14-4-6-17(7-5-14)30-20-18(27(28)29)19(23-13-24-20)26-10-8-25(9-11-26)16-3-1-2-15(22)12-16/h1-7,12-13H,8-11H2