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

Systemtic Name: 1-adamantyl-[[5-(5-methylthiophen-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium Openeye Name: 1-adamantyl-[[5-(5-methyl-2-thienyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium CAS Name: 1-adamantyl-[[5-(5-methyl-2-thiophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium IUPAC Name: 1-adamantyl-[[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium Traditional Name: 1-adamantyl-[[4-keto-5-(5-methyl-2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium Formula: C22H26N3OS2+ MolecularWeight: 412.59134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)C[NH2+]C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)C[NH2+]C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C22H25N3OS2/c1-12-2-3-17(28-12)16-11-27-21-19(16)20(26)24-18(25-21)10-23-22-7-13-4-14(8-22)6-15(5-13)9-22/h2-3,11,13-15,23H,4-10H2,1H3,(H,24,25,26)/p+1