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

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-ylcarbamoyl)ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide Formula: C15H12N6O4S MolecularWeight: 372.35858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N6O4S/c16-4-8-5-18-15(21-13(8)17)26-6-12(22)20-14(23)19-9-1-2-10-11(3-9)25-7-24-10/h1-3,5H,6-7H2,(H2,17,18,21)(H2,19,20,22,23)