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

Systemtic Name: methyl 2-[2-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-(cycloheptylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-(cycloheptylamino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(cycloheptylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-(cycloheptylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NC2CCCCCC2

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NC2CCCCCC2

InChI

InChI=1S/C16H23N3O4S/c1-23-15(22)9-12-8-13(20)19-16(18-12)24-10-14(21)17-11-6-4-2-3-5-7-11/h8,11H,2-7,9-10H2,1H3,(H,17,21)(H,18,19,20)