ethyl 4-(4-chloranylnaphthalen-1-yl)oxy-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-(4-chloranylnaphthalen-1-yl)oxy-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[(4-chloro-1-naphthyl)oxy]-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[(4-chloro-1-naphthalenyl)oxy]-5-methyl-2-(1-piperidin-1-iumylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chloronaphthalen-1-yl)oxy-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-chloro-1-naphthoxy)-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C26H27ClN3O3S+ MolecularWeight: 497.02888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH+]3CCCCC3)OC4=CC=C(C5=CC=CC=C54)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH+]3CCCCC3)OC4=CC=C(C5=CC=CC=C54)Cl)C

InChI

InChI=1S/C26H26ClN3O3S/c1-3-32-26(31)23-16(2)22-24(33-20-12-11-19(27)17-9-5-6-10-18(17)20)28-21(29-25(22)34-23)15-30-13-7-4-8-14-30/h5-6,9-12H,3-4,7-8,13-15H2,1-2H3/p+1