7-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C15H17N5O3 MolecularWeight: 315.32718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C15H17N5O3/c1-8-5-10(9(2)17-8)11(21)6-20-7-16-13-12(20)14(22)19(4)15(23)18(13)3/h5,7,17H,6H2,1-4H3