1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one

Systemtic Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one Openeye Name: 1-(4-indan-5-ylsulfonylpiperazin-1-yl)-4-(pyrimidin-2-ylamino)butan-1-one CAS Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-4-(2-pyrimidinylamino)-1-butanone IUPAC Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one Traditional Name: 1-(4-indan-5-ylsulfonylpiperazino)-4-(2-pyrimidylamino)butan-1-one Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCCNC4=NC=CC=N4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCCNC4=NC=CC=N4

InChI

InChI=1S/C21H27N5O3S/c27-20(6-2-9-22-21-23-10-3-11-24-21)25-12-14-26(15-13-25)30(28,29)19-8-7-17-4-1-5-18(17)16-19/h3,7-8,10-11,16H,1-2,4-6,9,12-15H2,(H,22,23,24)