8-chloranyl-1,3-dimethyl-7-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]purine-2,6-dione Traditional Name: 8-chloro-7-[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1,3-dimethyl-xanthine Formula: C16H18ClN5O3 MolecularWeight: 363.79882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C16H18ClN5O3/c1-8-6-10(9(2)19(8)3)11(23)7-22-12-13(18-15(22)17)20(4)16(25)21(5)14(12)24/h6H,7H2,1-5H3