5-ethoxycarbonyl-6-methyl-2-[[methyl-[(3-methylthiophen-2-yl)methyl]azaniumyl]methyl]furo[2,3-d]pyrimidin-4-olate

Systemtic Name: 5-ethoxycarbonyl-6-methyl-2-[[methyl-[(3-methylthiophen-2-yl)methyl]azaniumyl]methyl]furo[2,3-d]pyrimidin-4-olate Openeye Name: 5-ethoxycarbonyl-6-methyl-2-[[methyl-[(3-methyl-2-thienyl)methyl]ammonio]methyl]furo[2,3-d]pyrimidin-4-olate CAS Name: 5-ethoxycarbonyl-6-methyl-2-[[methyl-[(3-methyl-2-thiophenyl)methyl]ammonio]methyl]-4-furo[2,3-d]pyrimidinolate IUPAC Name: 5-ethoxycarbonyl-6-methyl-2-[[methyl-[(3-methylthiophen-2-yl)methyl]azaniumyl]methyl]furo[2,3-d]pyrimidin-4-olate Traditional Name: 5-carbethoxy-6-methyl-2-[[methyl-[(3-methyl-2-thienyl)methyl]ammonio]methyl]furo[2,3-d]pyrimidin-4-olate Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)[O-])C[NH+](C)CC3=C(C=CS3)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)[O-])C[NH+](C)CC3=C(C=CS3)C)C

InChI

InChI=1S/C18H21N3O4S/c1-5-24-18(23)14-11(3)25-17-15(14)16(22)19-13(20-17)9-21(4)8-12-10(2)6-7-26-12/h6-7H,5,8-9H2,1-4H3,(H,19,20,22)