5-(hydroxymethyl)-2-methyl-4-[[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]amino]methylidene]pyridin-3-one

Systemtic Name: 5-(hydroxymethyl)-2-methyl-4-[[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]amino]methylidene]pyridin-3-one Openeye Name: 5-(hydroxymethyl)-2-methyl-4-[[[(2R)-2-(4-methylpiperazin-1-yl)-2-(2-thienyl)ethyl]amino]methylene]pyridin-3-one CAS Name: 5-(hydroxymethyl)-2-methyl-4-[[[(2R)-2-(4-methyl-1-piperazinyl)-2-thiophen-2-ylethyl]amino]methylidene]-3-pyridinone IUPAC Name: 5-(hydroxymethyl)-2-methyl-4-[[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]methylidene]pyridin-3-one Traditional Name: 2-methyl-5-methylol-4-[[[(2R)-2-(4-methylpiperazino)-2-(2-thienyl)ethyl]amino]methylene]pyridin-3-one Formula: C19H26N4O2S MolecularWeight: 374.50034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNCC(C2=CC=CS2)N3CCN(CC3)C)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNC[C@H](C2=CC=CS2)N3CCN(CC3)C)C1=O)CO

InChI

InChI=1S/C19H26N4O2S/c1-14-19(25)16(15(13-24)10-21-14)11-20-12-17(18-4-3-9-26-18)23-7-5-22(2)6-8-23/h3-4,9-11,17,20,24H,5-8,12-13H2,1-2H3/t17-/m1/s1