(2-methyl-1-oxidanyl-propan-2-yl)-bis[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]azanium

Systemtic Name: (2-methyl-1-oxidanyl-propan-2-yl)-bis[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]azanium Openeye Name: (2-hydroxy-1,1-dimethyl-ethyl)-bis[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]ammonium CAS Name: (1-hydroxy-2-methylpropan-2-yl)-bis[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: (1-hydroxy-2-methylpropan-2-yl)-bis[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]azanium Traditional Name: (2-hydroxy-1,1-dimethyl-ethyl)-bis[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]ammonium Formula: C18H20N5O3S2+ MolecularWeight: 418.5131

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)[NH+](CC1=NC(=O)C2=C(N1)C=CS2)CC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

CC(C)(CO)[NH+](CC1=NC(=O)C2=C(N1)C=CS2)CC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C18H19N5O3S2/c1-18(2,9-24)23(7-12-19-10-3-5-27-14(10)16(25)21-12)8-13-20-11-4-6-28-15(11)17(26)22-13/h3-6,24H,7-9H2,1-2H3,(H,19,21,25)(H,20,22,26)/p+1