5-methyl-4-[3-(4-phenylpiperazin-1-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-4-[3-(4-phenylpiperazin-1-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-4-[3-(4-phenylpiperazin-1-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-[3-(4-phenyl-1-piperazinyl)propylamino]-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 5-methyl-4-[3-(4-phenylpiperazin-1-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 5-methyl-4-[3-(4-phenylpiperazino)propylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C21H25N5O2S MolecularWeight: 411.5205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCCCN3CCN(CC3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCCCN3CCN(CC3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H25N5O2S/c1-15-17-19(23-14-24-20(17)29-18(15)21(27)28)22-8-5-9-25-10-12-26(13-11-25)16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3,(H,27,28)(H,22,23,24)