5,6-dimethyl-2-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]sulfanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propyl]thio]-5,6-dimethyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]sulfanyl-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]thio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C18H26N3O3S2+ MolecularWeight: 396.54734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(C[NH+]3CCOCC3)O)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SC[C@H](C[NH+]3CCOCC3)O)CC=C)C

InChI

InChI=1S/C18H25N3O3S2/c1-4-5-21-17(23)15-12(2)13(3)26-16(15)19-18(21)25-11-14(22)10-20-6-8-24-9-7-20/h4,14,22H,1,5-11H2,2-3H3/p+1/t14-/m0/s1