2-[[(7R)-4-azanyl-7-tert-butyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[(7R)-4-azanyl-7-tert-butyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[(7R)-4-amino-7-tert-butyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[(7R)-4-amino-7-tert-butyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]acetate IUPAC Name: 2-[[(7R)-4-amino-7-tert-butyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[(7R)-4-amino-7-tert-butyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]acetate Formula: C16H20N3O2S2- MolecularWeight: 350.4789

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC3=NC(=NC(=C23)N)SCC(=O)[O-]

Isomeric SMILES

CC(C)(C)[C@@H]1CCC2=C(C1)SC3=NC(=NC(=C23)N)SCC(=O)[O-]

InChI

InChI=1S/C16H21N3O2S2/c1-16(2,3)8-4-5-9-10(6-8)23-14-12(9)13(17)18-15(19-14)22-7-11(20)21/h8H,4-7H2,1-3H3,(H,20,21)(H2,17,18,19)/p-1/t8-/m1/s1