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

Systemtic Name: 2-(1-adamantyl)-6-[(5-oxidanylidene-4-prop-2-enyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrimidin-4-one Openeye Name: 2-(1-adamantyl)-6-[(4-allyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrimidin-4-one CAS Name: 2-(1-adamantyl)-6-[[(5-oxo-4-prop-2-enyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(1-adamantyl)-6-[(5-oxo-4-prop-2-enyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 2-(1-adamantyl)-6-[[(4-allyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrimidin-4-one Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)NN=C1SCC2=CC(=O)N=C(N2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C=CCN1C(=O)NN=C1SCC2=CC(=O)N=C(N2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H25N5O2S/c1-2-3-25-18(27)23-24-19(25)28-11-15-7-16(26)22-17(21-15)20-8-12-4-13(9-20)6-14(5-12)10-20/h2,7,12-14H,1,3-6,8-11H2,(H,23,27)(H,21,22,26)