2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-4,6-dimethoxy-pyrimidine

Systemtic Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-4,6-dimethoxy-pyrimidine Openeye Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-4,6-dimethoxy-pyrimidine CAS Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]ethylthio]-4,6-dimethoxypyrimidine IUPAC Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-4,6-dimethoxypyrimidine Traditional Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]ethylthio]-4,6-dimethoxy-pyrimidine Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)SCCN2CCN(CC2)C3=C4C(=CC=C3)OCCO4)OC

Isomeric SMILES

COC1=CC(=NC(=N1)SCCN2CCN(CC2)C3=C4C(=CC=C3)OCCO4)OC

InChI

InChI=1S/C20H26N4O4S/c1-25-17-14-18(26-2)22-20(21-17)29-13-10-23-6-8-24(9-7-23)15-4-3-5-16-19(15)28-12-11-27-16/h3-5,14H,6-13H2,1-2H3