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

Systemtic Name: 3-[2-[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-2-[[2-keto-1-methyl-2-(veratrylamino)ethyl]thio]-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C)C(=O)NCC2=CC(=C(C=C2)OC)OC)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C)C(=O)NCC2=CC(=C(C=C2)OC)OC)CCC(=O)O

InChI

InChI=1S/C20H25N3O6S/c1-11-14(6-8-17(24)25)19(27)23-20(22-11)30-12(2)18(26)21-10-13-5-7-15(28-3)16(9-13)29-4/h5,7,9,12H,6,8,10H2,1-4H3,(H,21,26)(H,24,25)(H,22,23,27)