N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-amino-6-methyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]acetamide Formula: C19H28N4OS MolecularWeight: 360.51682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC(C)C23CC4CC(C2)CC(C4)C3)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N[C@@H](C)C23CC4CC(C2)CC(C4)C3)N

InChI

InChI=1S/C19H28N4OS/c1-11-3-16(20)23-18(21-11)25-10-17(24)22-12(2)19-7-13-4-14(8-19)6-15(5-13)9-19/h3,12-15H,4-10H2,1-2H3,(H,22,24)(H2,20,21,23)/t12-,13?,14?,15?,19?/m0/s1