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

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C14H11N5O3S MolecularWeight: 329.33384

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C14H11N5O3S/c15-4-8-5-17-14(19-13(8)16)23-6-12(20)18-9-1-2-10-11(3-9)22-7-21-10/h1-3,5H,6-7H2,(H,18,20)(H2,16,17,19)