8-chloranyl-1,3-dimethyl-7-[2-oxidanylidene-2-(4-propylphenyl)ethyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-oxidanylidene-2-(4-propylphenyl)ethyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(4-propylphenyl)ethyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(4-propylphenyl)ethyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(4-propylphenyl)ethyl]purine-2,6-dione Traditional Name: 8-chloro-7-[2-keto-2-(4-propylphenyl)ethyl]-1,3-dimethyl-xanthine Formula: C18H19ClN4O3 MolecularWeight: 374.82146

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C18H19ClN4O3/c1-4-5-11-6-8-12(9-7-11)13(24)10-23-14-15(20-17(23)19)21(2)18(26)22(3)16(14)25/h6-9H,4-5,10H2,1-3H3