ethyl 4-azanyl-2-(azepan-1-ium-1-ylmethyl)-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(azepan-1-ium-1-ylmethyl)-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(azepan-1-ium-1-ylmethyl)-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-2-(1-azepan-1-iumylmethyl)-6-methyl-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(azepan-1-ium-1-ylmethyl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-(azepan-1-ium-1-ylmethyl)-6-methyl-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H25N4O3+ MolecularWeight: 333.4054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)C[NH+]3CCCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)C[NH+]3CCCCCC3)C

InChI

InChI=1S/C17H24N4O3/c1-3-23-17(22)13-11(2)24-16-14(13)15(18)19-12(20-16)10-21-8-6-4-5-7-9-21/h3-10H2,1-2H3,(H2,18,19,20)/p+1