methyl 2-[2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H25N3O4S/c1-26-17(25)6-14-5-15(23)21-18(20-14)27-10-16(24)22-19-7-11-2-12(8-19)4-13(3-11)9-19/h5,11-13H,2-4,6-10H2,1H3,(H,22,24)(H,20,21,23)