[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thienyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thienyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(S3)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(S3)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H20N4O3S/c26-20(24-8-10-25(11-9-24)21-22-6-1-7-23-21)19-5-4-18(29-19)15-2-3-16-17(14-15)28-13-12-27-16/h1-7,14H,8-13H2