(2R)-N-(1-adamantyl)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-(1-adamantyl)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(1-adamantyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(1-adamantyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]propanamide IUPAC Name: (2R)-N-(1-adamantyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(1-adamantyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]propionamide Formula: C17H25N5OS MolecularWeight: 347.4783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC(=CC(=N4)N)N

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC(=CC(=N4)N)N

InChI

InChI=1S/C17H25N5OS/c1-9(24-16-20-13(18)5-14(19)21-16)15(23)22-17-6-10-2-11(7-17)4-12(3-10)8-17/h5,9-12H,2-4,6-8H2,1H3,(H,22,23)(H4,18,19,20,21)/t9-,10?,11?,12?,17?/m1/s1