3,5,6-trimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)butylamino]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3,5,6-trimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)butylamino]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3,5,6-trimethyl-2-[3-[4-(2-quinolyl)piperazin-1-yl]butylamino]thieno[2,3-d]pyrimidin-4-one CAS Name: 3,5,6-trimethyl-2-[3-[4-(2-quinolinyl)-1-piperazinyl]butylamino]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3,5,6-trimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)butylamino]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3,5,6-trimethyl-2-[3-[4-(2-quinolyl)piperazino]butylamino]thieno[2,3-d]pyrimidin-4-one Formula: C26H32N6OS MolecularWeight: 476.63688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)NCCC(C)N3CCN(CC3)C4=NC5=CC=CC=C5C=C4)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)NCCC(C)N3CCN(CC3)C4=NC5=CC=CC=C5C=C4)C)C

InChI

InChI=1S/C26H32N6OS/c1-17(11-12-27-26-29-24-23(25(33)30(26)4)18(2)19(3)34-24)31-13-15-32(16-14-31)22-10-9-20-7-5-6-8-21(20)28-22/h5-10,17H,11-16H2,1-4H3,(H,27,29)