3-[2-[2-(9H-fluoren-9-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[2-[2-(9H-fluoren-9-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-(9H-fluoren-9-ylamino)-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[2-(9H-fluoren-9-ylamino)-2-oxoethyl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[2-(9H-fluoren-9-ylamino)-2-oxoethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[[2-(9H-fluoren-9-ylamino)-2-keto-ethyl]thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)NC2C3=CC=CC=C3C4=CC=CC=C24)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)NC2C3=CC=CC=C3C4=CC=CC=C24)CCC(=O)O

InChI

InChI=1S/C23H21N3O4S/c1-13-14(10-11-20(28)29)22(30)26-23(24-13)31-12-19(27)25-21-17-8-4-2-6-15(17)16-7-3-5-9-18(16)21/h2-9,21H,10-12H2,1H3,(H,25,27)(H,28,29)(H,24,26,30)