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

Systemtic Name: 6-methyl-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-6-methyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-3-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-6-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)N=CN(C2=O)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(S1)N=CN(C2=O)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H22N4O2S/c1-15-11-17-19(27-15)21-14-24(20(17)26)13-18(25)23-9-7-22(8-10-23)12-16-5-3-2-4-6-16/h2-6,11,14H,7-10,12-13H2,1H3/p+1