N-[4-(4-chloranylphenoxy)phenyl]-5-methyl-4-piperidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-[4-(4-chloranylphenoxy)phenyl]-5-methyl-4-piperidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[4-(4-chlorophenoxy)phenyl]-5-methyl-4-(1-piperidyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[4-(4-chlorophenoxy)phenyl]-5-methyl-4-(1-piperidinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-[4-(4-chlorophenoxy)phenyl]-5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-[4-(4-chlorophenoxy)phenyl]-5-methyl-4-piperidino-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C25H23ClN4O2S MolecularWeight: 478.99372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCCCC3)C(=O)NC4=CC=C(C=C4)OC5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCCCC3)C(=O)NC4=CC=C(C=C4)OC5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H23ClN4O2S/c1-16-21-23(30-13-3-2-4-14-30)27-15-28-25(21)33-22(16)24(31)29-18-7-11-20(12-8-18)32-19-9-5-17(26)6-10-19/h5-12,15H,2-4,13-14H2,1H3,(H,29,31)