N-(2,4-dimethylphenyl)-5-methyl-4-oxidanylidene-2-[(3-oxidanylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(2,4-dimethylphenyl)-5-methyl-4-oxidanylidene-2-[(3-oxidanylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2,4-dimethylphenyl)-2-[(3-hydroxy-1-piperidyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2,4-dimethylphenyl)-2-[(3-hydroxy-1-piperidinyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: N-(2,4-dimethylphenyl)-2-[(3-hydroxypiperidin-1-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2,4-dimethylphenyl)-2-[(3-hydroxypiperidino)methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H26N4O3S MolecularWeight: 426.53184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(NC3=O)CN4CCCC(C4)O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(NC3=O)CN4CCCC(C4)O)C)C

InChI

InChI=1S/C22H26N4O3S/c1-12-6-7-16(13(2)9-12)23-21(29)19-14(3)18-20(28)24-17(25-22(18)30-19)11-26-8-4-5-15(27)10-26/h6-7,9,15,27H,4-5,8,10-11H2,1-3H3,(H,23,29)(H,24,25,28)