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

Systemtic Name: 6-ethanoyl-5-methyl-1-(2-morpholin-4-ium-4-ylethyl)-3-(phenylmethyl)thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 6-acetyl-3-benzyl-5-methyl-1-(2-morpholin-4-ium-4-ylethyl)thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 6-acetyl-5-methyl-1-[2-(4-morpholin-4-iumyl)ethyl]-3-(phenylmethyl)thieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 6-acetyl-3-benzyl-5-methyl-1-(2-morpholin-4-ium-4-ylethyl)thieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 6-acetyl-3-benzyl-5-methyl-1-(2-morpholin-4-ium-4-ylethyl)thieno[2,3-d]pyrimidine-2,4-quinone Formula: C22H26N3O4S+ MolecularWeight: 428.52454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=O)N2CC[NH+]3CCOCC3)CC4=CC=CC=C4)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=O)N2CC[NH+]3CCOCC3)CC4=CC=CC=C4)C(=O)C

InChI

InChI=1S/C22H25N3O4S/c1-15-18-20(27)25(14-17-6-4-3-5-7-17)22(28)24(21(18)30-19(15)16(2)26)9-8-23-10-12-29-13-11-23/h3-7H,8-14H2,1-2H3/p+1