(E)-3-[4-[2-(1-hydroxyethyl)pyrimidin-4-yl]piperazin-1-yl]-1-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-3-[4-[2-(1-hydroxyethyl)pyrimidin-4-yl]piperazin-1-yl]-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-3-[4-[2-(1-hydroxyethyl)pyrimidin-4-yl]piperazin-1-yl]-1-(2-thienyl)prop-2-en-1-one CAS Name: (E)-3-[4-[2-(1-hydroxyethyl)-4-pyrimidinyl]-1-piperazinyl]-1-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-3-[4-[2-(1-hydroxyethyl)pyrimidin-4-yl]piperazin-1-yl]-1-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-3-[4-[2-(1-hydroxyethyl)pyrimidin-4-yl]piperazino]-1-(2-thienyl)prop-2-en-1-one Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=CC(=N1)N2CCN(CC2)C=CC(=O)C3=CC=CS3)O

Isomeric SMILES

CC(C1=NC=CC(=N1)N2CCN(CC2)/C=C/C(=O)C3=CC=CS3)O

InChI

InChI=1S/C17H20N4O2S/c1-13(22)17-18-6-4-16(19-17)21-10-8-20(9-11-21)7-5-14(23)15-3-2-12-24-15/h2-7,12-13,22H,8-11H2,1H3/b7-5+