4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-methyl-6-propoxy-pyrimidine

Systemtic Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-methyl-6-propoxy-pyrimidine Openeye Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-methyl-6-propoxy-pyrimidine CAS Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-2-methyl-6-propoxypyrimidine IUPAC Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-methyl-6-propoxypyrimidine Traditional Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-2-methyl-6-propoxy-pyrimidine Formula: C20H26N4O5S MolecularWeight: 434.50924

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC(=NC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CCCOC1=NC(=NC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C20H26N4O5S/c1-3-10-29-20-14-19(21-15(2)22-20)23-6-8-24(9-7-23)30(25,26)16-4-5-17-18(13-16)28-12-11-27-17/h4-5,13-14H,3,6-12H2,1-2H3