2-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C16H16N6O2S2 MolecularWeight: 388.46724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6O2S2/c17-5-8-6-20-16(22-13(8)18)25-7-11(23)21-15-12(14(19)24)9-3-1-2-4-10(9)26-15/h6H,1-4,7H2,(H2,19,24)(H,21,23)(H2,18,20,22)