7-methyl-3-(2-thiomorpholin-4-ium-4-ylethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione

Systemtic Name: 7-methyl-3-(2-thiomorpholin-4-ium-4-ylethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione Openeye Name: 7-methyl-3-(2-thiomorpholin-4-ium-4-ylethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione CAS Name: 7-methyl-3-[2-(4-thiomorpholin-4-iumyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione IUPAC Name: 7-methyl-3-(2-thiomorpholin-4-ium-4-ylethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione Traditional Name: 7-methyl-3-(2-thiomorpholin-4-ium-4-ylethyl)-1H-thieno[3,2-d]pyrimidine-2,4-quinone Formula: C13H18N3O2S2+ MolecularWeight: 312.43092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=C1NC(=O)N(C2=O)CC[NH+]3CCSCC3

Isomeric SMILES

CC1=CSC2=C1NC(=O)N(C2=O)CC[NH+]3CCSCC3

InChI

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