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

Systemtic Name: 3-[2-[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-(indan-5-ylamino)-1-methyl-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[[2-(indan-5-ylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C)C(=O)NC2=CC3=C(CCC3)C=C2)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C)C(=O)NC2=CC3=C(CCC3)C=C2)CCC(=O)O

InChI

InChI=1S/C20H23N3O4S/c1-11-16(8-9-17(24)25)19(27)23-20(21-11)28-12(2)18(26)22-15-7-6-13-4-3-5-14(13)10-15/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,22,26)(H,24,25)(H,21,23,27)