1-phenethyl-8-phenyl-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-phenethyl-8-phenyl-3,7-dihydropurine-2,6-dione Openeye Name: 1-phenethyl-8-phenyl-3,7-dihydropurine-2,6-dione CAS Name: 1-phenethyl-8-phenyl-3,7-dihydropurine-2,6-dione IUPAC Name: 1-phenethyl-8-phenyl-3,7-dihydropurine-2,6-dione Traditional Name: 1-phenethyl-8-phenyl-7H-xanthine Formula: C19H16N4O2 MolecularWeight: 332.35594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(NC2=O)N=C(N3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(NC2=O)N=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C19H16N4O2/c24-18-15-17(21-16(20-15)14-9-5-2-6-10-14)22-19(25)23(18)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,20,21)(H,22,25)