(E)-1-[(3S)-3-(5-methyl-2-pyridin-3-yl-pyrimidin-4-yl)piperidin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[(3S)-3-(5-methyl-2-pyridin-3-yl-pyrimidin-4-yl)piperidin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[(3S)-3-[5-methyl-2-(3-pyridyl)pyrimidin-4-yl]-1-piperidyl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[(3S)-3-[5-methyl-2-(3-pyridinyl)-4-pyrimidinyl]-1-piperidinyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[(3S)-3-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[(3S)-3-[5-methyl-2-(3-pyridyl)pyrimidin-4-yl]piperidino]-3-(2-thienyl)prop-2-en-1-one Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)C=CC3=CC=CS3)C4=CN=CC=C4

Isomeric SMILES

CC1=CN=C(N=C1[C@H]2CCCN(C2)C(=O)/C=C/C3=CC=CS3)C4=CN=CC=C4

InChI

InChI=1S/C22H22N4OS/c1-16-13-24-22(17-5-2-10-23-14-17)25-21(16)18-6-3-11-26(15-18)20(27)9-8-19-7-4-12-28-19/h2,4-5,7-10,12-14,18H,3,6,11,15H2,1H3/b9-8+/t18-/m0/s1