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

Systemtic Name: 2-[[(4-chlorophenyl)methyl-methyl-azaniumyl]methyl]-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-4-olate Openeye Name: 2-[[(4-chlorophenyl)methyl-methyl-ammonio]methyl]-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-4-olate CAS Name: 2-[[(4-chlorophenyl)methyl-methylammonio]methyl]-5-ethoxycarbonyl-6-methyl-4-furo[2,3-d]pyrimidinolate IUPAC Name: 2-[[(4-chlorophenyl)methyl-methylazaniumyl]methyl]-5-ethoxycarbonyl-6-methylfuro[2,3-d]pyrimidin-4-olate Traditional Name: 5-carbethoxy-2-[[(4-chlorobenzyl)-methyl-ammonio]methyl]-6-methyl-furo[2,3-d]pyrimidin-4-olate Formula: C19H20ClN3O4 MolecularWeight: 389.8328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)[O-])C[NH+](C)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)[O-])C[NH+](C)CC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C19H20ClN3O4/c1-4-26-19(25)15-11(2)27-18-16(15)17(24)21-14(22-18)10-23(3)9-12-5-7-13(20)8-6-12/h5-8H,4,9-10H2,1-3H3,(H,21,22,24)