3-phenyl-7-(1-phenylethyl)-1-prop-2-enyl-purine-2,6-dione

Systemtic Name: 3-phenyl-7-(1-phenylethyl)-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-3-phenyl-7-(1-phenylethyl)purine-2,6-dione CAS Name: 3-phenyl-7-(1-phenylethyl)-1-prop-2-enylpurine-2,6-dione IUPAC Name: 3-phenyl-7-(1-phenylethyl)-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-3-phenyl-7-(1-phenylethyl)xanthine Formula: C22H20N4O2 MolecularWeight: 372.4198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4)CC=C

Isomeric SMILES

CC(C1=CC=CC=C1)N2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4)CC=C

InChI

InChI=1S/C22H20N4O2/c1-3-14-24-21(27)19-20(26(22(24)28)18-12-8-5-9-13-18)23-15-25(19)16(2)17-10-6-4-7-11-17/h3-13,15-16H,1,14H2,2H3