4-[4-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxyphenyl]-1,2,3-thiadiazole

Systemtic Name: 4-[4-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxyphenyl]-1,2,3-thiadiazole Openeye Name: 4-[4-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxyphenyl]thiadiazole CAS Name: 4-[4-[[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]oxy]phenyl]thiadiazole IUPAC Name: 4-[4-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]oxyphenyl]thiadiazole Traditional Name: 4-[4-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]oxyphenyl]thiadiazole Formula: C17H17N7O3S MolecularWeight: 399.42698

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)C4=CSN=N4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)C4=CSN=N4)[N+](=O)[O-]

InChI

InChI=1S/C17H17N7O3S/c1-22-6-8-23(9-7-22)16-15(24(25)26)17(19-11-18-16)27-13-4-2-12(3-5-13)14-10-28-21-20-14/h2-5,10-11H,6-9H2,1H3