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

Systemtic Name: 5-methyl-4-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-4-[3-[4-(1-piperidyl)-1-piperidyl]propylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-[3-[4-(1-piperidinyl)-1-piperidinyl]propylamino]-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 5-methyl-4-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 5-methyl-4-[3-(4-piperidinopiperidino)propylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCCCN3CCC(CC3)N4CCCCC4)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCCCN3CCC(CC3)N4CCCCC4)C(=O)O

InChI

InChI=1S/C21H31N5O2S/c1-15-17-19(23-14-24-20(17)29-18(15)21(27)28)22-8-5-9-25-12-6-16(7-13-25)26-10-3-2-4-11-26/h14,16H,2-13H2,1H3,(H,27,28)(H,22,23,24)