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

Systemtic Name: 6-ethyl-2-methyl-3-[(2R)-1-oxidanylidene-1-piperazin-4-ium-1-yl-propan-2-yl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-ethyl-2-methyl-3-[(1R)-1-methyl-2-oxo-2-piperazin-4-ium-1-yl-ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 6-ethyl-2-methyl-3-[(2R)-1-oxo-1-(1-piperazin-4-iumyl)propan-2-yl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-ethyl-2-methyl-3-[(2R)-1-oxo-1-piperazin-4-ium-1-ylpropan-2-yl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-ethyl-3-[(1R)-2-keto-1-methyl-2-piperazin-4-ium-1-yl-ethyl]-2-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C16H23N4O2S+ MolecularWeight: 335.44442

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)C(C)C(=O)N3CC[NH2+]CC3)C

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)[C@H](C)C(=O)N3CC[NH2+]CC3)C

InChI

InChI=1S/C16H22N4O2S/c1-4-12-9-13-14(23-12)18-11(3)20(16(13)22)10(2)15(21)19-7-5-17-6-8-19/h9-10,17H,4-8H2,1-3H3/p+1/t10-/m1/s1