[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-pyridyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-pyridinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-pyridyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H21N5O3S/c28-21(26-9-11-27(12-10-26)22-24-7-2-8-25-22)17-3-1-6-23-20(17)31-16-4-5-18-19(15-16)30-14-13-29-18/h1-8,15H,9-14H2