2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C17H20N6O3S MolecularWeight: 388.4441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C17H20N6O3S/c1-12-10-15(18)20-17(19-12)27-11-16(24)22-8-6-21(7-9-22)13-2-4-14(5-3-13)23(25)26/h2-5,10H,6-9,11H2,1H3,(H2,18,19,20)