6-(2-hydroxyethyl)-1,3-dimethyl-5-(4-methyl-3-nitro-phenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

Systemtic Name: 6-(2-hydroxyethyl)-1,3-dimethyl-5-(4-methyl-3-nitro-phenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 6-(2-hydroxyethyl)-1,3-dimethyl-5-(4-methyl-3-nitro-phenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 6-(2-hydroxyethyl)-1,3-dimethyl-5-(4-methyl-3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 6-(2-hydroxyethyl)-1,3-dimethyl-5-(4-methyl-3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 6-(2-hydroxyethyl)-1,3-dimethyl-5-(4-methyl-3-nitro-phenyl)pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C17H18N4O5 MolecularWeight: 358.34862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C3C(=CN2CCO)N(C(=O)N(C3=O)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C3C(=CN2CCO)N(C(=O)N(C3=O)C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O5/c1-10-4-5-11(8-12(10)21(25)26)15-14-13(9-20(15)6-7-22)18(2)17(24)19(3)16(14)23/h4-5,8-9,22H,6-7H2,1-3H3