[(7R)-3-(2-methylpropyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]-[(4-phenyl-1,3-thiazol-2-yl)methyl]azanium

Systemtic Name: [(7R)-3-(2-methylpropyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]-[(4-phenyl-1,3-thiazol-2-yl)methyl]azanium Openeye Name: [(7R)-3-isobutyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-7-yl]-[(4-phenylthiazol-2-yl)methyl]ammonium CAS Name: [(7R)-3-(2-methylpropyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]-[(4-phenyl-2-thiazolyl)methyl]ammonium IUPAC Name: [(7R)-3-(2-methylpropyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]-[(4-phenyl-1,3-thiazol-2-yl)methyl]azanium Traditional Name: [(7R)-3-isobutyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-7-yl]-[(4-phenylthiazol-2-yl)methyl]ammonium Formula: C24H27N4OS2+ MolecularWeight: 451.62738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C(C1=O)C3=C(S2)CC(CC3)[NH2+]CC4=NC(=CS4)C5=CC=CC=C5

Isomeric SMILES

CC(C)CN1C=NC2=C(C1=O)C3=C(S2)C[C@@H](CC3)[NH2+]CC4=NC(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C24H26N4OS2/c1-15(2)12-28-14-26-23-22(24(28)29)18-9-8-17(10-20(18)31-23)25-11-21-27-19(13-30-21)16-6-4-3-5-7-16/h3-7,13-15,17,25H,8-12H2,1-2H3/p+1/t17-/m1/s1