3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-[[4-(2-pyrimidyl)piperazino]methyl]-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole-2-thione Formula: C23H30N6O4S MolecularWeight: 486.5871

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C2=NN(C(=S)O2)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C2=NN(C(=S)O2)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H30N6O4S/c1-4-30-18-14-17(15-19(31-5-2)20(18)32-6-3)21-26-29(23(34)33-21)16-27-10-12-28(13-11-27)22-24-8-7-9-25-22/h7-9,14-15H,4-6,10-13,16H2,1-3H3