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

Systemtic Name: 5-(4-tert-butylphenyl)-6-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 5-(4-tert-butylphenyl)-6-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 5-(4-tert-butylphenyl)-6-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 5-(4-tert-butylphenyl)-6-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 5-(4-tert-butylphenyl)-6-(2-hydroxy-1,1-dimethylol-ethyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5/c1-21(2,3)15-8-6-14(7-9-15)18-17-16(23(4)20(30)24(5)19(17)29)10-25(18)22(11-26,12-27)13-28/h6-10,26-28H,11-13H2,1-5H3