N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1R)-3-methylsulfanyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)propyl]furan-2-carboxamide CAS Name: N-[(2R)-4-(methylthio)-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]butan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2R)-4-methylsulfanyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]furan-2-carboxamide Traditional Name: N-[(1R)-3-(methylthio)-1-[4-(2-pyrimidyl)piperazine-1-carbonyl]propyl]-2-furamide Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)C3=CC=CO3

Isomeric SMILES

CSCC[C@H](C(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C18H23N5O3S/c1-27-13-5-14(21-16(24)15-4-2-12-26-15)17(25)22-8-10-23(11-9-22)18-19-6-3-7-20-18/h2-4,6-7,12,14H,5,8-11,13H2,1H3,(H,21,24)/t14-/m1/s1