N-[3-(2-methoxyethyl)-5-pyrimidin-5-yl-1,3-thiazol-2-ylidene]adamantane-1-carboxamide

Systemtic Name: N-[3-(2-methoxyethyl)-5-pyrimidin-5-yl-1,3-thiazol-2-ylidene]adamantane-1-carboxamide Openeye Name: N-[3-(2-methoxyethyl)-5-pyrimidin-5-yl-thiazol-2-ylidene]adamantane-1-carboxamide CAS Name: N-[3-(2-methoxyethyl)-5-(5-pyrimidinyl)-2-thiazolylidene]-1-adamantanecarboxamide IUPAC Name: N-[3-(2-methoxyethyl)-5-pyrimidin-5-yl-1,3-thiazol-2-ylidene]adamantane-1-carboxamide Traditional Name: N-[3-(2-methoxyethyl)-5-(5-pyrimidyl)-4-thiazolin-2-ylidene]adamantane-1-carboxamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=C(SC1=NC(=O)C23CC4CC(C2)CC(C4)C3)C5=CN=CN=C5

Isomeric SMILES

COCCN1C=C(SC1=NC(=O)C23CC4CC(C2)CC(C4)C3)C5=CN=CN=C5

InChI

InChI=1S/C21H26N4O2S/c1-27-3-2-25-12-18(17-10-22-13-23-11-17)28-20(25)24-19(26)21-7-14-4-15(8-21)6-16(5-14)9-21/h10-16H,2-9H2,1H3