8-chloranyl-1,3-dimethyl-7-[3-(3-methylphenoxy)propyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[3-(3-methylphenoxy)propyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[3-(3-methylphenoxy)propyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[3-(3-methylphenoxy)propyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[3-(3-methylphenoxy)propyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-[3-(3-methylphenoxy)propyl]xanthine Formula: C17H19ClN4O3 MolecularWeight: 362.81076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C17H19ClN4O3/c1-11-6-4-7-12(10-11)25-9-5-8-22-13-14(19-16(22)18)20(2)17(24)21(3)15(13)23/h4,6-7,10H,5,8-9H2,1-3H3