(2S)-1-[2-methoxy-4-[[(5-methylpyrazin-2-yl)methylamino]methyl]phenoxy]-3-thiomorpholin-4-yl-propan-2-ol

Systemtic Name: (2S)-1-[2-methoxy-4-[[(5-methylpyrazin-2-yl)methylamino]methyl]phenoxy]-3-thiomorpholin-4-yl-propan-2-ol Openeye Name: (2S)-1-[2-methoxy-4-[[(5-methylpyrazin-2-yl)methylamino]methyl]phenoxy]-3-thiomorpholino-propan-2-ol CAS Name: (2S)-1-[2-methoxy-4-[[(5-methyl-2-pyrazinyl)methylamino]methyl]phenoxy]-3-thiomorpholin-4-yl-2-propanol IUPAC Name: (2S)-1-[2-methoxy-4-[[(5-methylpyrazin-2-yl)methylamino]methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol Traditional Name: (2S)-1-[2-methoxy-4-[[(5-methylpyrazin-2-yl)methylamino]methyl]phenoxy]-3-thiomorpholino-propan-2-ol Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=N1)CNCC2=CC(=C(C=C2)OCC(CN3CCSCC3)O)OC

Isomeric SMILES

CC1=CN=C(C=N1)CNCC2=CC(=C(C=C2)OC[C@H](CN3CCSCC3)O)OC

InChI

InChI=1S/C21H30N4O3S/c1-16-10-24-18(13-23-16)12-22-11-17-3-4-20(21(9-17)27-2)28-15-19(26)14-25-5-7-29-8-6-25/h3-4,9-10,13,19,22,26H,5-8,11-12,14-15H2,1-2H3/t19-/m0/s1