5-azanyl-6-(4-tert-butylphenyl)carbonyl-1-(2-morpholin-4-ium-4-ylethyl)thieno[2,3-d]pyrimidine-2,4-dione

Systemtic Name: 5-azanyl-6-(4-tert-butylphenyl)carbonyl-1-(2-morpholin-4-ium-4-ylethyl)thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 5-amino-6-(4-tert-butylbenzoyl)-1-(2-morpholin-4-ium-4-ylethyl)thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 5-amino-6-[(4-tert-butylphenyl)-oxomethyl]-1-[2-(4-morpholin-4-iumyl)ethyl]thieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 5-amino-6-(4-tert-butylbenzoyl)-1-(2-morpholin-4-ium-4-ylethyl)thieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 5-amino-6-(4-tert-butylbenzoyl)-1-(2-morpholin-4-ium-4-ylethyl)thieno[2,3-d]pyrimidine-2,4-quinone Formula: C23H29N4O4S+ MolecularWeight: 457.56576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)N(C(=O)NC3=O)CC[NH+]4CCOCC4)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)N(C(=O)NC3=O)CC[NH+]4CCOCC4)N

InChI

InChI=1S/C23H28N4O4S/c1-23(2,3)15-6-4-14(5-7-15)18(28)19-17(24)16-20(29)25-22(30)27(21(16)32-19)9-8-26-10-12-31-13-11-26/h4-7H,8-13,24H2,1-3H3,(H,25,29,30)/p+1