3-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-6-methyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-6-methyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-6-methyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]-6-methyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]-6-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C15H21N4O2S+ MolecularWeight: 321.41784

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=C(S3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=C(S3)C

InChI

InChI=1S/C15H20N4O2S/c1-3-17-4-6-18(7-5-17)13(20)9-19-10-16-14-12(15(19)21)8-11(2)22-14/h8,10H,3-7,9H2,1-2H3/p+1