6-methyl-3-(2-morpholin-4-ium-4-ylethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-methyl-3-(2-morpholin-4-ium-4-ylethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-3-(2-morpholin-4-ium-4-ylethyl)-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-3-[2-(4-morpholin-4-iumyl)ethyl]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-3-(2-morpholin-4-ium-4-ylethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-3-(2-morpholin-4-ium-4-ylethyl)-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one Formula: C13H18N3O2S2+ MolecularWeight: 312.43092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)NC(=S)N(C2=O)CC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC2=C(S1)NC(=S)N(C2=O)CC[NH+]3CCOCC3

InChI

InChI=1S/C13H17N3O2S2/c1-9-8-10-11(20-9)14-13(19)16(12(10)17)3-2-15-4-6-18-7-5-15/h8H,2-7H2,1H3,(H,14,19)/p+1