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

Systemtic Name: 5-azanyl-6-(4-tert-butylphenyl)carbonyl-1-(3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 5-amino-6-(4-tert-butylbenzoyl)-1-(3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 5-amino-6-[(4-tert-butylphenyl)-oxomethyl]-1-[3-(methylthio)propyl]thieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 5-amino-6-(4-tert-butylbenzoyl)-1-(3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 5-amino-6-(4-tert-butylbenzoyl)-1-[3-(methylthio)propyl]thieno[2,3-d]pyrimidine-2,4-quinone Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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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)CCCSC)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)N(C(=O)NC3=O)CCCSC)N

InChI

InChI=1S/C21H25N3O3S2/c1-21(2,3)13-8-6-12(7-9-13)16(25)17-15(22)14-18(26)23-20(27)24(19(14)29-17)10-5-11-28-4/h6-9H,5,10-11,22H2,1-4H3,(H,23,26,27)