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

Systemtic Name: 6-ethyl-3-[(2R)-1-oxidanylidene-1-piperazin-4-ium-1-yl-butan-2-yl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-ethyl-3-[(1R)-1-(piperazin-4-ium-1-carbonyl)propyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 6-ethyl-3-[(2R)-1-oxo-1-(1-piperazin-4-iumyl)butan-2-yl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-ethyl-3-[(2R)-1-oxo-1-piperazin-4-ium-1-ylbutan-2-yl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-ethyl-3-[(1R)-1-(piperazin-4-ium-1-carbonyl)propyl]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=CN(C2=O)C(CC)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O2S/c1-3-11-9-12-14(23-11)18-10-20(15(12)21)13(4-2)16(22)19-7-5-17-6-8-19/h9-10,13,17H,3-8H2,1-2H3/p+1/t13-/m1/s1