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

Systemtic Name: N-butan-2-yl-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-methyl-4-(4-phenylpiperazin-1-yl)-N-sec-butyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-butan-2-yl-5-methyl-4-(4-phenyl-1-piperazinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-butan-2-yl-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-methyl-4-(4-phenylpiperazino)-N-sec-butyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CCC(C)NC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H27N5OS/c1-4-15(2)25-21(28)19-16(3)18-20(23-14-24-22(18)29-19)27-12-10-26(11-13-27)17-8-6-5-7-9-17/h5-9,14-15H,4,10-13H2,1-3H3,(H,25,28)