4-(2-methylphenoxy)-2-thiomorpholin-4-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-methylphenoxy)-2-thiomorpholin-4-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-methylphenoxy)-2-thiomorpholino-pyrimidine-5-carboxylic acid CAS Name: 4-(2-methylphenoxy)-2-thiomorpholin-4-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-methylphenoxy)-2-thiomorpholin-4-ylpyrimidine-5-carboxylic acid Traditional Name: 4-(2-methylphenoxy)-2-thiomorpholino-pyrimidine-5-carboxylic acid Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=NC(=NC=C2C(=O)O)N3CCSCC3

Isomeric SMILES

CC1=CC=CC=C1OC2=NC(=NC=C2C(=O)O)N3CCSCC3

InChI

InChI=1S/C16H17N3O3S/c1-11-4-2-3-5-13(11)22-14-12(15(20)21)10-17-16(18-14)19-6-8-23-9-7-19/h2-5,10H,6-9H2,1H3,(H,20,21)