1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-pyrimidin-5-yl]ethanone; sulfuric acid

Systemtic Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-pyrimidin-5-yl]ethanone; sulfuric acid Openeye Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-pyrimidin-5-yl]ethanone; sulfuric acid CAS Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-methyl-5-pyrimidinyl]ethanone; sulfuric acid IUPAC Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methylpyrimidin-5-yl]ethanone; sulfuric acid Traditional Name: 1-[4-methyl-2-(4-piperonylpiperazino)pyrimidin-5-yl]ethanone; sulfuric acid Formula: C19H24N4O7S MolecularWeight: 452.48146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)C)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4.OS(=O)(=O)O

Isomeric SMILES

CC1=NC(=NC=C1C(=O)C)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4.OS(=O)(=O)O

InChI

InChI=1S/C19H22N4O3.H2O4S/c1-13-16(14(2)24)10-20-19(21-13)23-7-5-22(6-8-23)11-15-3-4-17-18(9-15)26-12-25-17;1-5(2,3)4/h3-4,9-10H,5-8,11-12H2,1-2H3;(H2,1,2,3,4)