2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C22H29ClN6O3S MolecularWeight: 493.02206

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H29ClN6O3S/c1-3-9-27(10-4-2)20-15-19(23)24-22(25-20)33-16-21(30)28-13-11-26(12-14-28)17-5-7-18(8-6-17)29(31)32/h5-8,15H,3-4,9-14,16H2,1-2H3