2,2-dimethyl-7-[2-oxidanyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]-3H-chromen-4-one dihydrochloride

Systemtic Name: 2,2-dimethyl-7-[2-oxidanyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]-3H-chromen-4-one dihydrochloride Openeye Name: 7-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]-2,2-dimethyl-chroman-4-one dihydrochloride CAS Name: 7-[2-hydroxy-3-[4-(2-pyrimidinyl)-1-piperazinyl]propoxy]-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one dihydrochloride IUPAC Name: 7-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]-2,2-dimethyl-3H-chromen-4-one dihydrochloride Traditional Name: 7-[2-hydroxy-3-[4-(2-pyrimidyl)piperazino]propoxy]-2,2-dimethyl-chroman-4-one dihydrochloride Formula: C22H30Cl2N4O4 MolecularWeight: 485.404

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(O1)C=C(C=C2)OCC(CN3CCN(CC3)C4=NC=CC=N4)O)C.Cl.Cl

Isomeric SMILES

CC1(CC(=O)C2=C(O1)C=C(C=C2)OCC(CN3CCN(CC3)C4=NC=CC=N4)O)C.Cl.Cl

InChI

InChI=1S/C22H28N4O4.2ClH/c1-22(2)13-19(28)18-5-4-17(12-20(18)30-22)29-15-16(27)14-25-8-10-26(11-9-25)21-23-6-3-7-24-21;;/h3-7,12,16,27H,8-11,13-15H2,1-2H3;2*1H