2-(4-azanyl-5-fluoranyl-pyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-(4-azanyl-5-fluoranyl-pyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-(4-amino-5-fluoro-pyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[(4-amino-5-fluoro-2-pyrimidinyl)thio]-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-(4-amino-5-fluoropyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[(4-amino-5-fluoro-pyrimidin-2-yl)thio]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C13H11FN4O3S MolecularWeight: 322.314843

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC=C(C(=N3)N)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC=C(C(=N3)N)F

InChI

InChI=1S/C13H11FN4O3S/c14-8-4-16-13(18-12(8)15)22-5-11(19)17-7-1-2-9-10(3-7)21-6-20-9/h1-4H,5-6H2,(H,17,19)(H2,15,16,18)