2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(6-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(6-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide Formula: C15H12ClN5O3S MolecularWeight: 377.80548

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Cl)NC(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Cl)NC(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C15H12ClN5O3S/c16-9-3-11-12(24-2-1-23-11)4-10(9)20-13(22)7-25-15-19-6-8(5-17)14(18)21-15/h3-4,6H,1-2,7H2,(H,20,22)(H2,18,19,21)