3-[2-[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[2-[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-(cycloheptylamino)-1-methyl-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[1-(cycloheptylamino)-1-oxopropan-2-yl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[[2-(cycloheptylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C)C(=O)NC2CCCCCC2)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C)C(=O)NC2CCCCCC2)CCC(=O)O

InChI

InChI=1S/C18H27N3O4S/c1-11-14(9-10-15(22)23)17(25)21-18(19-11)26-12(2)16(24)20-13-7-5-3-4-6-8-13/h12-13H,3-10H2,1-2H3,(H,20,24)(H,22,23)(H,19,21,25)