5,6-dimethyl-3-[(2R)-1-oxidanylidene-1-piperazin-4-ium-1-yl-butan-2-yl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-3-[(2R)-1-oxidanylidene-1-piperazin-4-ium-1-yl-butan-2-yl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-3-[(1R)-1-(piperazin-4-ium-1-carbonyl)propyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-3-[(2R)-1-oxo-1-(1-piperazin-4-iumyl)butan-2-yl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-3-[(2R)-1-oxo-1-piperazin-4-ium-1-ylbutan-2-yl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-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:

CCC(C(=O)N1CC[NH2+]CC1)N2C=NC3=C(C2=O)C(=C(S3)C)C

Isomeric SMILES

CC[C@H](C(=O)N1CC[NH2+]CC1)N2C=NC3=C(C2=O)C(=C(S3)C)C

InChI

InChI=1S/C16H22N4O2S/c1-4-12(15(21)19-7-5-17-6-8-19)20-9-18-14-13(16(20)22)10(2)11(3)23-14/h9,12,17H,4-8H2,1-3H3/p+1/t12-/m1/s1