2-[[3-ethyl-5-(4-ethylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]amino]ethylazanium

Systemtic Name: 2-[[3-ethyl-5-(4-ethylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]amino]ethylazanium Openeye Name: 2-[[3-ethyl-5-(4-ethylphenyl)-4-oxo-thieno[2,3-d]pyrimidin-2-yl]amino]ethylammonium CAS Name: 2-[[3-ethyl-5-(4-ethylphenyl)-4-oxo-2-thieno[2,3-d]pyrimidinyl]amino]ethylammonium IUPAC Name: 2-[[3-ethyl-5-(4-ethylphenyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]amino]ethylazanium Traditional Name: 2-[[3-ethyl-5-(4-ethylphenyl)-4-keto-thieno[2,3-d]pyrimidin-2-yl]amino]ethylammonium Formula: C18H23N4OS+ MolecularWeight: 343.46642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)NCC[NH3+])CC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)NCC[NH3+])CC

InChI

InChI=1S/C18H22N4OS/c1-3-12-5-7-13(8-6-12)14-11-24-16-15(14)17(23)22(4-2)18(21-16)20-10-9-19/h5-8,11H,3-4,9-10,19H2,1-2H3,(H,20,21)/p+1