3-[6-methyl-2-[2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[6-methyl-2-[2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[6-methyl-2-[2-(3-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[6-methyl-2-[[2-[3-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[6-methyl-2-[2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-2-[[2-keto-2-(3-methyl-4-pyrrolidino-anilino)ethyl]thio]-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C)CCC(=O)O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C)CCC(=O)O)N3CCCC3

InChI

InChI=1S/C21H26N4O4S/c1-13-11-15(5-7-17(13)25-9-3-4-10-25)23-18(26)12-30-21-22-14(2)16(20(29)24-21)6-8-19(27)28/h5,7,11H,3-4,6,8-10,12H2,1-2H3,(H,23,26)(H,27,28)(H,22,24,29)