8-(4-chlorophenyl)-1,7-bis(prop-2-enyl)-3-propyl-purine-2,6-dione

Systemtic Name: 8-(4-chlorophenyl)-1,7-bis(prop-2-enyl)-3-propyl-purine-2,6-dione Openeye Name: 1,7-diallyl-8-(4-chlorophenyl)-3-propyl-purine-2,6-dione CAS Name: 8-(4-chlorophenyl)-1,7-bis(prop-2-enyl)-3-propylpurine-2,6-dione IUPAC Name: 8-(4-chlorophenyl)-1,7-bis(prop-2-enyl)-3-propylpurine-2,6-dione Traditional Name: 1,7-diallyl-8-(4-chlorophenyl)-3-propyl-xanthine Formula: C20H21ClN4O2 MolecularWeight: 384.85934

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC=C)N(C(=N2)C3=CC=C(C=C3)Cl)CC=C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC=C)N(C(=N2)C3=CC=C(C=C3)Cl)CC=C

InChI

InChI=1S/C20H21ClN4O2/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/h4,6-10H,1,3,5,11-13H2,2H3