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

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-6-phenylsulfanyl-pyrimidine Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-6-phenylsulfanyl-pyrimidine CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-6-(phenylthio)pyrimidine IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-6-phenylsulfanylpyrimidine Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-5-nitro-6-(phenylthio)pyrimidine Formula: C20H18ClN5O2S MolecularWeight: 427.90722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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