8-(4-chlorophenyl)-1,3,7-tripropyl-purine-2,6-dione

Systemtic Name: 8-(4-chlorophenyl)-1,3,7-tripropyl-purine-2,6-dione Openeye Name: 8-(4-chlorophenyl)-1,3,7-tripropyl-purine-2,6-dione CAS Name: 8-(4-chlorophenyl)-1,3,7-tripropylpurine-2,6-dione IUPAC Name: 8-(4-chlorophenyl)-1,3,7-tripropylpurine-2,6-dione Traditional Name: 8-(4-chlorophenyl)-1,3,7-tripropyl-xanthine Formula: C20H25ClN4O2 MolecularWeight: 388.8911

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1C3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)CCC)CCC

Isomeric SMILES

CCCN1C2=C(N=C1C3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)CCC)CCC

InChI

InChI=1S/C20H25ClN4O2/c1-4-11-23-16-18(22-17(23)14-7-9-15(21)10-8-14)24(12-5-2)20(27)25(13-6-3)19(16)26/h7-10H,4-6,11-13H2,1-3H3