4-(4-chlorophenyl)sulfanyl-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine Openeye Name: 4-(4-chlorophenyl)sulfanyl-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine CAS Name: 4-[(4-chlorophenyl)thio]-5-nitro-6-(4-phenyl-1-piperazinyl)pyrimidine IUPAC Name: 4-(4-chlorophenyl)sulfanyl-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine Traditional Name: 4-[(4-chlorophenyl)thio]-5-nitro-6-(4-phenylpiperazino)pyrimidine Formula: C20H18ClN5O2S MolecularWeight: 427.90722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN5O2S/c21-15-6-8-17(9-7-15)29-20-18(26(27)28)19(22-14-23-20)25-12-10-24(11-13-25)16-4-2-1-3-5-16/h1-9,14H,10-13H2