N-[(3-chlorophenyl)methyl]-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-5-methyl-4-(4-propyl-1-piperazinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(3-chlorobenzyl)-5-methyl-4-(4-propylpiperazino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H26ClN5OS MolecularWeight: 443.99274

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)NCC4=CC(=CC=C4)Cl)C

Isomeric SMILES

CCCN1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)NCC4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C22H26ClN5OS/c1-3-7-27-8-10-28(11-9-27)20-18-15(2)19(30-22(18)26-14-25-20)21(29)24-13-16-5-4-6-17(23)12-16/h4-6,12,14H,3,7-11,13H2,1-2H3,(H,24,29)