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

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-(4-ethylpiperazin-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-(4-ethylpiperazin-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-4-(4-ethyl-1-piperazinyl)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(4-chlorobenzyl)-4-(4-ethylpiperazino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H24ClN5OS MolecularWeight: 429.96616

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)NCC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CCN1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)NCC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C21H24ClN5OS/c1-3-26-8-10-27(11-9-26)19-17-14(2)18(29-21(17)25-13-24-19)20(28)23-12-15-4-6-16(22)7-5-15/h4-7,13H,3,8-12H2,1-2H3,(H,23,28)