[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]methanone

Systemtic Name: [4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]methanone Openeye Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-isopentylsulfanyl-3-nitro-phenyl)methanone CAS Name: [4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-[4-(3-methylbutylthio)-3-nitrophenyl]methanone IUPAC Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[4-(3-methylbutylsulfanyl)-3-nitrophenyl]methanone Traditional Name: [4-(5-bromopyrimidin-2-yl)piperazino]-[4-(isoamylthio)-3-nitro-phenyl]methanone Formula: C20H24BrN5O3S MolecularWeight: 494.40526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H24BrN5O3S/c1-14(2)5-10-30-18-4-3-15(11-17(18)26(28)29)19(27)24-6-8-25(9-7-24)20-22-12-16(21)13-23-20/h3-4,11-14H,5-10H2,1-2H3