8-(4-chlorophenyl)-3-(phenylmethyl)-7-propyl-purine-2,6-dione

Systemtic Name: 8-(4-chlorophenyl)-3-(phenylmethyl)-7-propyl-purine-2,6-dione Openeye Name: 3-benzyl-8-(4-chlorophenyl)-7-propyl-purine-2,6-dione CAS Name: 8-(4-chlorophenyl)-3-(phenylmethyl)-7-propylpurine-2,6-dione IUPAC Name: 3-benzyl-8-(4-chlorophenyl)-7-propylpurine-2,6-dione Traditional Name: 3-benzyl-8-(4-chlorophenyl)-7-propyl-xanthine Formula: C21H19ClN4O2 MolecularWeight: 394.85416

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1C3=CC=C(C=C3)Cl)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(N=C1C3=CC=C(C=C3)Cl)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H19ClN4O2/c1-2-12-25-17-19(23-18(25)15-8-10-16(22)11-9-15)26(21(28)24-20(17)27)13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,24,27,28)