6-ethanoyl-3-(2-hydroxyethyl)-5-methyl-1-(2-piperidin-1-ium-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-dione

Systemtic Name: 6-ethanoyl-3-(2-hydroxyethyl)-5-methyl-1-(2-piperidin-1-ium-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 6-acetyl-3-(2-hydroxyethyl)-5-methyl-1-(2-piperidin-1-ium-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 6-acetyl-3-(2-hydroxyethyl)-5-methyl-1-[2-(1-piperidin-1-iumyl)ethyl]thieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 6-acetyl-3-(2-hydroxyethyl)-5-methyl-1-(2-piperidin-1-ium-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 6-acetyl-3-(2-hydroxyethyl)-5-methyl-1-(2-piperidin-1-ium-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-quinone Formula: C18H26N3O4S+ MolecularWeight: 380.48174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=O)N2CC[NH+]3CCCCC3)CCO)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=O)N2CC[NH+]3CCCCC3)CCO)C(=O)C

InChI

InChI=1S/C18H25N3O4S/c1-12-14-16(24)20(10-11-22)18(25)21(17(14)26-15(12)13(2)23)9-8-19-6-4-3-5-7-19/h22H,3-11H2,1-2H3/p+1