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

Systemtic Name: ethyl 4-azanyl-2-(azocan-1-ium-1-ylmethyl)-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(azocan-1-ium-1-ylmethyl)-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-2-(1-azocan-1-iumylmethyl)-6-methyl-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(azocan-1-ium-1-ylmethyl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-(azocan-1-ium-1-ylmethyl)-6-methyl-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H27N4O3+ MolecularWeight: 347.43198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)C[NH+]3CCCCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)C[NH+]3CCCCCCC3)C

InChI

InChI=1S/C18H26N4O3/c1-3-24-18(23)14-12(2)25-17-15(14)16(19)20-13(21-17)11-22-9-7-5-4-6-8-10-22/h3-11H2,1-2H3,(H2,19,20,21)/p+1