2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C15H15N5O2S2 MolecularWeight: 361.4419

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC(=O)C=C(N3)N)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC(=O)C=C(N3)N)C#N

InChI

InChI=1S/C15H15N5O2S2/c16-6-9-8-3-1-2-4-10(8)24-14(9)19-13(22)7-23-15-18-11(17)5-12(21)20-15/h5H,1-4,7H2,(H,19,22)(H3,17,18,20,21)