8-phenyl-1,7-bis(prop-2-enyl)-3-propyl-purine-2,6-dione

Systemtic Name: 8-phenyl-1,7-bis(prop-2-enyl)-3-propyl-purine-2,6-dione Openeye Name: 1,7-diallyl-8-phenyl-3-propyl-purine-2,6-dione CAS Name: 8-phenyl-1,7-bis(prop-2-enyl)-3-propylpurine-2,6-dione IUPAC Name: 8-phenyl-1,7-bis(prop-2-enyl)-3-propylpurine-2,6-dione Traditional Name: 1,7-diallyl-8-phenyl-3-propyl-xanthine Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC=C)N(C(=N2)C3=CC=CC=C3)CC=C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC=C)N(C(=N2)C3=CC=CC=C3)CC=C

InChI

InChI=1S/C20H22N4O2/c1-4-12-22-16-18(21-17(22)15-10-8-7-9-11-15)23(13-5-2)20(26)24(14-6-3)19(16)25/h4,6-11H,1,3,5,12-14H2,2H3