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

Systemtic Name: 5-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-methyl-N-[[4-(methylthio)phenyl]methyl]-4-(4-propyl-1-piperazinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-methyl-N-[4-(methylthio)benzyl]-4-(4-propylpiperazino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C23H29N5OS2 MolecularWeight: 455.63926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5OS2/c1-4-9-27-10-12-28(13-11-27)21-19-16(2)20(31-23(19)26-15-25-21)22(29)24-14-17-5-7-18(30-3)8-6-17/h5-8,15H,4,9-14H2,1-3H3,(H,24,29)