(5-methyl-4-pyrrolidin-1-ylsulfonyl-furan-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (5-methyl-4-pyrrolidin-1-ylsulfonyl-furan-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (5-methyl-4-pyrrolidin-1-ylsulfonyl-2-furyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [5-methyl-4-(1-pyrrolidinylsulfonyl)-2-furanyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (5-methyl-4-pyrrolidinosulfonyl-2-furyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C18H23N5O4S MolecularWeight: 405.47132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)N2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=C(O1)C(=O)N2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C18H23N5O4S/c1-14-16(28(25,26)23-7-2-3-8-23)13-15(27-14)17(24)21-9-11-22(12-10-21)18-19-5-4-6-20-18/h4-6,13H,2-3,7-12H2,1H3