7-[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-1,3-dimethyl-xanthine Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)N2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)N2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H21N5O4/c1-8-12(11(4)24)9(2)20-13(8)15(25)10(3)23-7-19-16-14(23)17(26)22(6)18(27)21(16)5/h7,10,20H,1-6H3/t10-/m0/s1