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

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(1,3-benzodioxol-5-ylmethyl)acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-piperonyl-acetamide Formula: C15H13N5O3S MolecularWeight: 343.36042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N5O3S/c16-4-10-6-19-15(20-14(10)17)24-7-13(21)18-5-9-1-2-11-12(3-9)23-8-22-11/h1-3,6H,5,7-8H2,(H,18,21)(H2,17,19,20)