3-ethyl-2-[(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-ethyl-2-[(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-ethyl-2-[(1R)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-ethyl-2-[[(2R)-1-(4-ethyl-1-piperazin-4-iumyl)-1-oxopropan-2-yl]thio]-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-ethyl-2-[(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]sulfanyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-ethyl-2-[[(1R)-2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]thio]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H27N4O2S3+ MolecularWeight: 463.65968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)SC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@@H](C)SC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC

InChI

InChI=1S/C21H26N4O2S3/c1-4-23-8-10-24(11-9-23)19(26)14(3)30-21-22-18-17(20(27)25(21)5-2)15(13-29-18)16-7-6-12-28-16/h6-7,12-14H,4-5,8-11H2,1-3H3/p+1/t14-/m1/s1