8-chloranyl-3-methyl-7-(3-methylbut-2-enyl)-1-phenethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-3-methyl-7-(3-methylbut-2-enyl)-1-phenethyl-purine-2,6-dione Openeye Name: 8-chloro-3-methyl-7-(3-methylbut-2-enyl)-1-phenethyl-purine-2,6-dione CAS Name: 8-chloro-3-methyl-7-(3-methylbut-2-enyl)-1-phenethylpurine-2,6-dione IUPAC Name: 8-chloro-3-methyl-7-(3-methylbut-2-enyl)-1-phenethylpurine-2,6-dione Traditional Name: 8-chloro-3-methyl-7-(3-methylbut-2-enyl)-1-phenethyl-xanthine Formula: C19H21ClN4O2 MolecularWeight: 372.84864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1Cl)N(C(=O)N(C2=O)CCC3=CC=CC=C3)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1Cl)N(C(=O)N(C2=O)CCC3=CC=CC=C3)C)C

InChI

InChI=1S/C19H21ClN4O2/c1-13(2)9-11-23-15-16(21-18(23)20)22(3)19(26)24(17(15)25)12-10-14-7-5-4-6-8-14/h4-9H,10-12H2,1-3H3