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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O2S/c1-8-9(2)20-12-11(8)13(19)17(7-16-12)6-3-10(18)15-5-4-14/h7H,3-6,14H2,1-2H3,(H,15,18)/p+1