1,3-diethyl-7-methyl-8-[(1E,3E)-4-phenylbuta-1,3-dienyl]purine-2,6-dione

Systemtic Name: 1,3-diethyl-7-methyl-8-[(1E,3E)-4-phenylbuta-1,3-dienyl]purine-2,6-dione Openeye Name: 1,3-diethyl-7-methyl-8-[(1E,3E)-4-phenylbuta-1,3-dienyl]purine-2,6-dione CAS Name: 1,3-diethyl-7-methyl-8-[(1E,3E)-4-phenylbuta-1,3-dienyl]purine-2,6-dione IUPAC Name: 1,3-diethyl-7-methyl-8-[(1E,3E)-4-phenylbuta-1,3-dienyl]purine-2,6-dione Traditional Name: 1,3-diethyl-7-methyl-8-[(1E,3E)-4-phenylbuta-1,3-dienyl]xanthine Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)C=CC=CC3=CC=CC=C3)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C20H22N4O2/c1-4-23-18-17(19(25)24(5-2)20(23)26)22(3)16(21-18)14-10-9-13-15-11-7-6-8-12-15/h6-14H,4-5H2,1-3H3/b13-9+,14-10+