(4-azanyl-6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-2-yl)methyl-[(3-fluorophenyl)methyl]-methyl-azanium

Systemtic Name: (4-azanyl-6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-2-yl)methyl-[(3-fluorophenyl)methyl]-methyl-azanium Openeye Name: (4-amino-6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-2-yl)methyl-[(3-fluorophenyl)methyl]-methyl-ammonium CAS Name: (4-amino-6-ethoxycarbonyl-5-methyl-2-thieno[2,3-d]pyrimidinyl)methyl-[(3-fluorophenyl)methyl]-methylammonium IUPAC Name: (4-amino-6-ethoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-2-yl)methyl-[(3-fluorophenyl)methyl]-methylazanium Traditional Name: (4-amino-6-carbethoxy-5-methyl-thieno[2,3-d]pyrimidin-2-yl)methyl-(3-fluorobenzyl)-methyl-ammonium Formula: C19H22FN4O2S+ MolecularWeight: 389.466983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH+](C)CC3=CC(=CC=C3)F)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH+](C)CC3=CC(=CC=C3)F)N)C

InChI

InChI=1S/C19H21FN4O2S/c1-4-26-19(25)16-11(2)15-17(21)22-14(23-18(15)27-16)10-24(3)9-12-6-5-7-13(20)8-12/h5-8H,4,9-10H2,1-3H3,(H2,21,22,23)/p+1