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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-(4-propoxyphenoxy)ethyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[2-(4-propoxyphenoxy)ethyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[2-(4-propoxyphenoxy)ethyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[2-(4-propoxyphenoxy)ethyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-[2-(4-propoxyphenoxy)ethyl]xanthine Formula: C18H21ClN4O4 MolecularWeight: 392.83674

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OCCN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)OCCN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C18H21ClN4O4/c1-4-10-26-12-5-7-13(8-6-12)27-11-9-23-14-15(20-17(23)19)21(2)18(25)22(3)16(14)24/h5-8H,4,9-11H2,1-3H3