2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-cyano-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl)ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-cyano-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl)ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-cyano-3a,4,5,6,7,7a-hexahydrobenzothiophen-2-yl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(3-cyano-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(3-cyano-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(3-cyano-3a,4,5,6,7,7a-hexahydrobenzothiophen-2-yl)acetamide Formula: C16H16N6OS2 MolecularWeight: 372.46784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=C(S2)NC(=O)CSC3=NC=C(C(=N3)N)C#N)C#N

Isomeric SMILES

C1CCC2C(C1)C(=C(S2)NC(=O)CSC3=NC=C(C(=N3)N)C#N)C#N

InChI

InChI=1S/C16H16N6OS2/c17-5-9-7-20-16(22-14(9)19)24-8-13(23)21-15-11(6-18)10-3-1-2-4-12(10)25-15/h7,10,12H,1-4,8H2,(H,21,23)(H2,19,20,22)