N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[3-(4-cyclohexyl-1-piperazinyl)propyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-[3-(4-cyclohexylpiperazino)propyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC=N2)C(=O)NCCCN3CCN(CC3)C4CCCCC4

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC=N2)C(=O)NCCCN3CCN(CC3)C4CCCCC4

InChI

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