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4-[(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethylamino)methyl]cyclohexane-1-carboxylic acid

4-[(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethylamino)methyl]cyclohexane-1-carboxylic acid

Systemtic Name:4-[(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
Openeye Name:4-[(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethylamino)methyl]cyclohexanecarboxylic acid
CAS Name:4-[(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethylamino)methyl]-1-cyclohexanecarboxylic acid
IUPAC Name:4-[(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
Traditional Name:4-[(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethylamino)methyl]cyclohexanecarboxylic acid
Formula: C19H22N4O2S
MolecularWeight: 370.46858
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNCC2=CC3=C(C=C2)SC4=NC=CN=C4N3)C(=O)O


Isomeric SMILES

C1CC(CCC1CNCC2=CC3=C(C=C2)SC4=NC=CN=C4N3)C(=O)O


InChI

InChI=1S/C19H22N4O2S/c24-19(25)14-4-1-12(2-5-14)10-20-11-13-3-6-16-15(9-13)23-17-18(26-16)22-8-7-21-17/h3,6-9,12,14,20H,1-2,4-5,10-11H2,(H,21,23)(H,24,25)


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