2-(1-adamantyl)-6-[(5-oxidanylidene-4-pentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrimidin-4-one

Systemtic Name: 2-(1-adamantyl)-6-[(5-oxidanylidene-4-pentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrimidin-4-one Openeye Name: 2-(1-adamantyl)-6-[(5-oxo-4-pentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrimidin-4-one CAS Name: 2-(1-adamantyl)-6-[[(5-oxo-4-pentyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(1-adamantyl)-6-[(5-oxo-4-pentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 2-(1-adamantyl)-6-[[(4-amyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrimidin-4-one Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)NN=C1SCC2=CC(=O)N=C(N2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCCN1C(=O)NN=C1SCC2=CC(=O)N=C(N2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H31N5O2S/c1-2-3-4-5-27-20(29)25-26-21(27)30-13-17-9-18(28)24-19(23-17)22-10-14-6-15(11-22)8-16(7-14)12-22/h9,14-16H,2-8,10-13H2,1H3,(H,25,29)(H,23,24,28)