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

Systemtic Name: cyclooctyl-[[5-(5-methylthiophen-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium Openeye Name: cyclooctyl-[[5-(5-methyl-2-thienyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium CAS Name: cyclooctyl-[[5-(5-methyl-2-thiophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium IUPAC Name: cyclooctyl-[[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium Traditional Name: cyclooctyl-[[4-keto-5-(5-methyl-2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium Formula: C20H26N3OS2+ MolecularWeight: 388.56994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)C[NH2+]C4CCCCCCC4

Isomeric SMILES

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)C[NH2+]C4CCCCCCC4

InChI

InChI=1S/C20H25N3OS2/c1-13-9-10-16(26-13)15-12-25-20-18(15)19(24)22-17(23-20)11-21-14-7-5-3-2-4-6-8-14/h9-10,12,14,21H,2-8,11H2,1H3,(H,22,23,24)/p+1