N-[[3-(2-methoxyethyl)-2,6-bis(oxidanylidene)pyrimidin-4-yl]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[3-(2-methoxyethyl)-2,6-bis(oxidanylidene)pyrimidin-4-yl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[3-(2-methoxyethyl)-2,6-dioxo-pyrimidin-4-yl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[[3-(2-methoxyethyl)-2,6-dioxo-4-pyrimidinyl]amino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[3-(2-methoxyethyl)-2,6-dioxopyrimidin-4-yl]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[2,6-diketo-3-(2-methoxyethyl)pyrimidin-4-yl]thiocarbamoyl]adamantane-1-carboxamide Formula: C19H26N4O4S MolecularWeight: 406.49914

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=CC(=O)NC1=O)NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COCCN1C(=CC(=O)NC1=O)NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H26N4O4S/c1-27-3-2-23-14(7-15(24)21-18(23)26)20-17(28)22-16(25)19-8-11-4-12(9-19)6-13(5-11)10-19/h7,11-13H,2-6,8-10H2,1H3,(H,21,24,26)(H2,20,22,25,28)