[3-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [3-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [3-[[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]methyl]phenyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [3-[[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]methyl]phenyl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C28H33ClN6O3S MolecularWeight: 569.11802

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCCN(CCC)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C28H33ClN6O3S/c1-3-12-33(13-4-2)26-19-25(29)30-28(31-26)39-20-21-6-5-7-22(18-21)27(36)34-16-14-32(15-17-34)23-8-10-24(11-9-23)35(37)38/h5-11,18-19H,3-4,12-17,20H2,1-2H3