3-[[4-oxidanylidene-6-[(3Z)-penta-1,3-dien-2-yl]-5-propyl-5H-pyrimidin-2-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[4-oxidanylidene-6-[(3Z)-penta-1,3-dien-2-yl]-5-propyl-5H-pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-[(Z)-1-methylenebut-2-enyl]-6-oxo-5-propyl-5H-pyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-oxo-6-[(3Z)-penta-1,3-dien-2-yl]-5-propyl-5H-pyrimidin-2-yl]thio]propanoic acid IUPAC Name: 3-[[4-oxo-6-[(3Z)-penta-1,3-dien-2-yl]-5-propyl-5H-pyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-keto-6-[(Z)-1-methylenebut-2-enyl]-5-propyl-5H-pyrimidin-2-yl]thio]propionic acid Formula: C30H40N4O6S2 MolecularWeight: 616.7918

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=NC(=NC1=O)SCCC(=O)O)C(=C)C=CC.CCCC1C(=NC(=NC1=O)SCCC(=O)O)C(=C)C=CC

Isomeric SMILES

CCCC1C(=O)N=C(N=C1C(=C)/C=C\C)SCCC(=O)O.CCCC1C(=O)N=C(N=C1C(=C)/C=C\C)SCCC(=O)O

InChI

InChI=1S/2C15H20N2O3S/c2*1-4-6-10(3)13-11(7-5-2)14(20)17-15(16-13)21-9-8-12(18)19/h2*4,6,11H,3,5,7-9H2,1-2H3,(H,18,19)/b2*6-4-