3-(4-chlorophenyl)-1-phenethyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 3-(4-chlorophenyl)-1-phenethyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-3-(4-chlorophenyl)-1-phenethyl-purine-2,6-dione CAS Name: 3-(4-chlorophenyl)-1-phenethyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 3-(4-chlorophenyl)-1-phenethyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-3-(4-chlorophenyl)-1-phenethyl-xanthine Formula: C22H19ClN4O2 MolecularWeight: 406.86486

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=C(C=C3)Cl)CCC4=CC=CC=C4

Isomeric SMILES

C=CCN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=C(C=C3)Cl)CCC4=CC=CC=C4

InChI

InChI=1S/C22H19ClN4O2/c1-2-13-25-15-24-20-19(25)21(28)26(14-12-16-6-4-3-5-7-16)22(29)27(20)18-10-8-17(23)9-11-18/h2-11,15H,1,12-14H2