3-ethyl-2-[(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-5,6-dimethyl-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-5,6-dimethyl-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-5,6-dimethyl-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]-5,6-dimethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-ethyl-2-[(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]sulfanyl-5,6-dimethylthieno[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]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C19H29N4O2S2+ MolecularWeight: 409.58916

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)SC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@@H](C)SC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC

InChI

InChI=1S/C19H28N4O2S2/c1-6-21-8-10-22(11-9-21)17(24)14(5)27-19-20-16-15(12(3)13(4)26-16)18(25)23(19)7-2/h14H,6-11H2,1-5H3/p+1/t14-/m1/s1