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

Systemtic Name: ethyl 4-azanyl-6-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-6-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-6-methyl-2-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-6-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]furo[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-6-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]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+]3CCCC(C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)C[NH+]3CCC[C@H](C3)C)C

InChI

InChI=1S/C17H24N4O3/c1-4-23-17(22)13-11(3)24-16-14(13)15(18)19-12(20-16)9-21-7-5-6-10(2)8-21/h10H,4-9H2,1-3H3,(H2,18,19,20)/p+1/t10-/m1/s1