cyclooctyl-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium

Systemtic Name: cyclooctyl-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Openeye Name: cyclooctyl-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium CAS Name: cyclooctyl-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: cyclooctyl-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Traditional Name: cyclooctyl-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium Formula: C17H26N3OS+ MolecularWeight: 320.47284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH2+]C3CCCCCCC3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH2+]C3CCCCCCC3)C

InChI

InChI=1S/C17H25N3OS/c1-11-12(2)22-17-15(11)16(21)19-14(20-17)10-18-13-8-6-4-3-5-7-9-13/h13,18H,3-10H2,1-2H3,(H,19,20,21)/p+1