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

Systemtic Name: ethyl 4-azanyl-6-methyl-2-(piperidin-1-ium-1-ylmethyl)furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-6-methyl-2-(piperidin-1-ium-1-ylmethyl)furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-6-methyl-2-(1-piperidin-1-iumylmethyl)-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-6-methyl-2-(piperidin-1-ium-1-ylmethyl)furo[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-6-methyl-2-(piperidin-1-ium-1-ylmethyl)furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H23N4O3+ MolecularWeight: 319.37882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)C[NH+]3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)C[NH+]3CCCCC3)C

InChI

InChI=1S/C16H22N4O3/c1-3-22-16(21)12-10(2)23-15-13(12)14(17)18-11(19-15)9-20-7-5-4-6-8-20/h3-9H2,1-2H3,(H2,17,18,19)/p+1