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

Systemtic Name: 5-(4-tert-butylphenyl)-1,3-dimethyl-6-(2-methyl-1-oxidanyl-propan-2-yl)pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 5-(4-tert-butylphenyl)-6-(2-hydroxy-1,1-dimethyl-ethyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 5-(4-tert-butylphenyl)-6-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 5-(4-tert-butylphenyl)-6-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 5-(4-tert-butylphenyl)-6-(2-hydroxy-1,1-dimethyl-ethyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3/c1-21(2,3)15-10-8-14(9-11-15)18-17-16(12-25(18)22(4,5)13-26)23(6)20(28)24(7)19(17)27/h8-12,26H,13H2,1-7H3