7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]chromen-2-one; sulfuric acid

Systemtic Name: 7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]chromen-2-one; sulfuric acid Openeye Name: 7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]chromen-2-one; sulfuric acid CAS Name: 7-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propoxy]-1-benzopyran-2-one; sulfuric acid IUPAC Name: 7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]chromen-2-one; sulfuric acid Traditional Name: 7-[3-[4-(2-pyrimidyl)piperazino]propoxy]coumarin; sulfuric acid Formula: C20H24N4O7S MolecularWeight: 464.49216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC3=C(C=C2)C=CC(=O)O3)C4=NC=CC=N4.OS(=O)(=O)O

Isomeric SMILES

C1CN(CCN1CCCOC2=CC3=C(C=C2)C=CC(=O)O3)C4=NC=CC=N4.OS(=O)(=O)O

InChI

InChI=1S/C20H22N4O3.H2O4S/c25-19-6-4-16-3-5-17(15-18(16)27-19)26-14-2-9-23-10-12-24(13-11-23)20-21-7-1-8-22-20;1-5(2,3)4/h1,3-8,15H,2,9-14H2;(H2,1,2,3,4)