1-[2-methoxy-4-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]-3-thiomorpholin-4-yl-propan-2-ol

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCCC2=NC=CN=C2)OCC(CN3CCSCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNCCC2=NC=CN=C2)OCC(CN3CCSCC3)O

InChI

InChI=1S/C21H30N4O3S/c1-27-21-12-17(13-22-5-4-18-14-23-6-7-24-18)2-3-20(21)28-16-19(26)15-25-8-10-29-11-9-25/h2-3,6-7,12,14,19,22,26H,4-5,8-11,13,15-16H2,1H3