5-(4-tert-butylphenyl)-1,3-dimethyl-6-(2-oxidanylpropan-2-yl)pyrrolo[3,4-d]pyrimidine-2,4-dione

Systemtic Name: 5-(4-tert-butylphenyl)-1,3-dimethyl-6-(2-oxidanylpropan-2-yl)pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 5-(4-tert-butylphenyl)-6-(1-hydroxy-1-methyl-ethyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 5-(4-tert-butylphenyl)-6-(2-hydroxypropan-2-yl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 5-(4-tert-butylphenyl)-6-(2-hydroxypropan-2-yl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 5-(4-tert-butylphenyl)-6-(1-hydroxy-1-methyl-ethyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C3C(=CN2C(C)(C)O)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C3C(=CN2C(C)(C)O)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C21H27N3O3/c1-20(2,3)14-10-8-13(9-11-14)17-16-15(12-24(17)21(4,5)27)22(6)19(26)23(7)18(16)25/h8-12,27H,1-7H3