N-(1-adamantylmethyl)-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-(1-adamantylmethyl)-5-chloro-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide Formula: C17H22ClN3OS MolecularWeight: 351.89408

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCC23CC4CC(C2)CC(C4)C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCC23CC4CC(C2)CC(C4)C3)Cl

InChI

InChI=1S/C17H22ClN3OS/c1-23-16-19-8-13(18)14(21-16)15(22)20-9-17-5-10-2-11(6-17)4-12(3-10)7-17/h8,10-12H,2-7,9H2,1H3,(H,20,22)