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

Systemtic Name: S-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)] N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioate Openeye Name: S-[(6-amino-4-oxo-1H-pyrimidin-2-yl)] N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioate CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioic acid S-[(6-amino-4-oxo-1H-pyrimidin-2-yl)] ester IUPAC Name: S-[(6-amino-4-oxo-1H-pyrimidin-2-yl)] N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioate Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamic acid S-[(6-amino-4-keto-1H-pyrimidin-2-yl)] ester Formula: C14H13N5O2S2 MolecularWeight: 347.41532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)SC3=NC(=O)C=C(N3)N)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)SC3=NC(=O)C=C(N3)N)C#N

InChI

InChI=1S/C14H13N5O2S2/c15-6-8-7-3-1-2-4-9(7)22-12(8)19-14(21)23-13-17-10(16)5-11(20)18-13/h5H,1-4H2,(H,19,21)(H3,16,17,18,20)