4-azanyl-2-[[2-(4-chloranylphenoxy)ethyl-methyl-azaniumyl]methyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: 4-azanyl-2-[[2-(4-chloranylphenoxy)ethyl-methyl-azaniumyl]methyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: 4-amino-2-[[2-(4-chlorophenoxy)ethyl-methyl-ammonio]methyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(4-chlorophenoxy)ethyl-methylammonio]methyl]-6-methyl-5-furo[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-amino-2-[[2-(4-chlorophenoxy)ethyl-methylazaniumyl]methyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(4-chlorophenoxy)ethyl-methyl-ammonio]methyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate Formula: C18H19ClN4O4 MolecularWeight: 390.82086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=C(N=C2O1)C[NH+](C)CCOC3=CC=C(C=C3)Cl)N)C(=O)[O-]

Isomeric SMILES

CC1=C(C2=C(N=C(N=C2O1)C[NH+](C)CCOC3=CC=C(C=C3)Cl)N)C(=O)[O-]

InChI

InChI=1S/C18H19ClN4O4/c1-10-14(18(24)25)15-16(20)21-13(22-17(15)27-10)9-23(2)7-8-26-12-5-3-11(19)4-6-12/h3-6H,7-9H2,1-2H3,(H,24,25)(H2,20,21,22)