2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-4-methylsulfanyl-butanoic acid Openeye Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-4-methylsulfanyl-butanoic acid CAS Name: 2-(4-benzofuro[3,2-d]pyrimidinylamino)-4-(methylthio)butanoic acid IUPAC Name: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-4-methylsulfanylbutanoic acid Traditional Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-4-(methylthio)butyric acid Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC1=NC=NC2=C1OC3=CC=CC=C32

Isomeric SMILES

CSCCC(C(=O)O)NC1=NC=NC2=C1OC3=CC=CC=C32

InChI

InChI=1S/C15H15N3O3S/c1-22-7-6-10(15(19)20)18-14-13-12(16-8-17-14)9-4-2-3-5-11(9)21-13/h2-5,8,10H,6-7H2,1H3,(H,19,20)(H,16,17,18)