N-(1-adamantylmethyl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide

Systemtic Name: N-(1-adamantylmethyl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: N-(1-adamantylmethyl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: N-(1-adamantylmethyl)-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-(1-adamantylmethyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: N-(1-adamantylmethyl)-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionamide Formula: C21H31N3OS MolecularWeight: 373.55534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H31N3OS/c1-13-18(14(2)24-20(23-13)26-3)4-5-19(25)22-12-21-9-15-6-16(10-21)8-17(7-15)11-21/h15-17H,4-12H2,1-3H3,(H,22,25)