methyl 4-(cyclohexylamino)-2-[(cyclohexylamino)methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 4-(cyclohexylamino)-2-[(cyclohexylamino)methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 4-(cyclohexylamino)-2-[(cyclohexylamino)methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(cyclohexylamino)-2-[(cyclohexylamino)methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(cyclohexylamino)-2-[(cyclohexylamino)methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(cyclohexylamino)-2-[(cyclohexylamino)methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C22H32N4O2S MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3CCCCC3)CNC4CCCCC4)C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3CCCCC3)CNC4CCCCC4)C(=O)OC

InChI

InChI=1S/C22H32N4O2S/c1-14-18-20(24-16-11-7-4-8-12-16)25-17(13-23-15-9-5-3-6-10-15)26-21(18)29-19(14)22(27)28-2/h15-16,23H,3-13H2,1-2H3,(H,24,25,26)