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

Systemtic Name: 6-ethanoyl-5-methyl-1-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 6-acetyl-5-methyl-1-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 6-acetyl-5-methyl-1-[2-(4-morpholin-4-iumyl)ethyl]-3-phenylthieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 6-acetyl-5-methyl-1-(2-morpholin-4-ium-4-ylethyl)-3-phenylthieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 6-acetyl-5-methyl-1-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-thieno[2,3-d]pyrimidine-2,4-quinone Formula: C21H24N3O4S+ MolecularWeight: 414.49796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=O)N2CC[NH+]3CCOCC3)C4=CC=CC=C4)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=O)N2CC[NH+]3CCOCC3)C4=CC=CC=C4)C(=O)C

InChI

InChI=1S/C21H23N3O4S/c1-14-17-19(26)24(16-6-4-3-5-7-16)21(27)23(20(17)29-18(14)15(2)25)9-8-22-10-12-28-13-11-22/h3-7H,8-13H2,1-2H3/p+1