2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(2-pyridylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-[(2-pyridinylthio)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-(4-piperonylpiperazino)-6-[(2-pyridylthio)methyl]-1H-pyrimidin-4-one Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC(=O)C=C(N4)CSC5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC(=O)C=C(N4)CSC5=CC=CC=N5

InChI

InChI=1S/C22H23N5O3S/c28-20-12-17(14-31-21-3-1-2-6-23-21)24-22(25-20)27-9-7-26(8-10-27)13-16-4-5-18-19(11-16)30-15-29-18/h1-6,11-12H,7-10,13-15H2,(H,24,25,28)