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

Systemtic Name: ethyl 4-(azepan-1-yl)-2-(azepan-1-ylmethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(azepan-1-yl)-2-(azepan-1-ylmethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(1-azepanyl)-2-(1-azepanylmethyl)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(azepan-1-yl)-2-(azepan-1-ylmethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(azepan-1-yl)-2-(azepan-1-ylmethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H34N4O2S MolecularWeight: 430.60666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CN3CCCCCC3)N4CCCCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CN3CCCCCC3)N4CCCCCC4)C

InChI

InChI=1S/C23H34N4O2S/c1-3-29-23(28)20-17(2)19-21(27-14-10-6-7-11-15-27)24-18(25-22(19)30-20)16-26-12-8-4-5-9-13-26/h3-16H2,1-2H3