S-[4,6-bis(azanyl)pyrimidin-2-yl] 3-chloranyl-1-benzothiophene-2-carbothioate

Systemtic Name: S-[4,6-bis(azanyl)pyrimidin-2-yl] 3-chloranyl-1-benzothiophene-2-carbothioate Openeye Name: S-(4,6-diaminopyrimidin-2-yl) 3-chlorobenzothiophene-2-carbothioate CAS Name: 3-chloro-1-benzothiophene-2-carbothioic acid S-(4,6-diamino-2-pyrimidinyl) ester IUPAC Name: S-(4,6-diaminopyrimidin-2-yl) 3-chloro-1-benzothiophene-2-carbothioate Traditional Name: 3-chlorobenzothiophene-2-carbothioic acid S-(4,6-diaminopyrimidin-2-yl) ester Formula: C13H9ClN4OS2 MolecularWeight: 336.81976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)SC3=NC(=CC(=N3)N)N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)SC3=NC(=CC(=N3)N)N)Cl

InChI

InChI=1S/C13H9ClN4OS2/c14-10-6-3-1-2-4-7(6)20-11(10)12(19)21-13-17-8(15)5-9(16)18-13/h1-5H,(H4,15,16,17,18)