4-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-methyl-2-propan-2-yl-pyrimidine

Systemtic Name: 4-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-methyl-2-propan-2-yl-pyrimidine Openeye Name: 4-[4-(2,3-dihydrobenzofuran-5-ylsulfonyl)piperazin-1-yl]-2-isopropyl-6-methyl-pyrimidine CAS Name: 4-[4-(2,3-dihydrobenzofuran-5-ylsulfonyl)-1-piperazinyl]-6-methyl-2-propan-2-ylpyrimidine IUPAC Name: 4-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine Traditional Name: 4-(4-coumaran-5-ylsulfonylpiperazino)-2-isopropyl-6-methyl-pyrimidine Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C20H26N4O3S/c1-14(2)20-21-15(3)12-19(22-20)23-7-9-24(10-8-23)28(25,26)17-4-5-18-16(13-17)6-11-27-18/h4-5,12-14H,6-11H2,1-3H3