methyl 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[4-[(cyclohexylamino)-oxomethyl]-1-piperazinyl]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[4-(cyclohexylcarbamoyl)piperazino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C21H29N5O3S MolecularWeight: 431.55166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C(=O)NC4CCCCC4)C)C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C(=O)NC4CCCCC4)C)C(=O)OC

InChI

InChI=1S/C21H29N5O3S/c1-13-16-18(22-14(2)23-19(16)30-17(13)20(27)29-3)25-9-11-26(12-10-25)21(28)24-15-7-5-4-6-8-15/h15H,4-12H2,1-3H3,(H,24,28)