2-[2-(2,5,6-trimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]ethylazanium

Systemtic Name: 2-[2-(2,5,6-trimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]ethylazanium Openeye Name: 2-[[2-(2,5,6-trimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]ethylammonium CAS Name: 2-[[1-oxo-2-(2,5,6-trimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)ethyl]amino]ethylammonium IUPAC Name: 2-[[2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]ethylazanium Traditional Name: 2-[[2-(4-keto-2,5,6-trimethyl-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]ethylammonium Formula: C13H19N4O2S+ MolecularWeight: 295.38056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)C)CC(=O)NCC[NH3+])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)C)CC(=O)NCC[NH3+])C

InChI

InChI=1S/C13H18N4O2S/c1-7-8(2)20-12-11(7)13(19)17(9(3)16-12)6-10(18)15-5-4-14/h4-6,14H2,1-3H3,(H,15,18)/p+1