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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-6-pyridin-4-yl-1H-pyrimidin-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-6-(4-pyridyl)-1H-pyrimidin-4-one CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-1-piperazinyl]-6-pyridin-4-yl-1H-pyrimidin-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-6-pyridin-4-yl-1H-pyrimidin-4-one Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)piperazino]-6-(4-pyridyl)-1H-pyrimidin-4-one Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC3=C(C=C2)OCO3)C4=NC(=O)C=C(N4)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCN1C2=CC3=C(C=C2)OCO3)C4=NC(=O)C=C(N4)C5=CC=NC=C5

InChI

InChI=1S/C20H19N5O3/c26-19-12-16(14-3-5-21-6-4-14)22-20(23-19)25-9-7-24(8-10-25)15-1-2-17-18(11-15)28-13-27-17/h1-6,11-12H,7-10,13H2,(H,22,23,26)