2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-azanyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-azanyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-6-amino-1H-pyrimidin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-6-amino-1H-pyrimidin-4-one IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-amino-1H-pyrimidin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-6-amino-1H-pyrimidin-4-one Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2S/c17-13-4-14(21)19-15(18-13)22-8-12(20)16-5-9-1-10(6-16)3-11(2-9)7-16/h4,9-11H,1-3,5-8H2,(H3,17,18,19,21)