N-(1-adamantyl)-2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]acetamide Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC(=O)C=C(N4)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC(=O)C=C(N4)N

InChI

InChI=1S/C16H22N4O2S/c17-12-4-13(21)19-15(18-12)23-8-14(22)20-16-5-9-1-10(6-16)3-11(2-9)7-16/h4,9-11H,1-3,5-8H2,(H,20,22)(H3,17,18,19,21)