1-[(4-tert-butylphenyl)methyl]-3-oxidanyl-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-oxidanyl-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-hydroxy-benzothiopheno[3,2-d]pyrimidine-2,4-dione CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-hydroxy-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-hydroxy-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione Traditional Name: 1-(4-tert-butylbenzyl)-3-hydroxy-benzothiopheno[3,2-d]pyrimidine-2,4-quinone Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C3=C(C(=O)N(C2=O)O)SC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C3=C(C(=O)N(C2=O)O)SC4=CC=CC=C43

InChI

InChI=1S/C21H20N2O3S/c1-21(2,3)14-10-8-13(9-11-14)12-22-17-15-6-4-5-7-16(15)27-18(17)19(24)23(26)20(22)25/h4-11,26H,12H2,1-3H3