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

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

Systemtic Name:1,3,7-trimethyl-8-[(1E,3E)-4-phenylbuta-1,3-dienyl]purine-2,6-dione
Openeye Name:1,3,7-trimethyl-8-[(1E,3E)-4-phenylbuta-1,3-dienyl]purine-2,6-dione
CAS Name:1,3,7-trimethyl-8-[(1E,3E)-4-phenylbuta-1,3-dienyl]purine-2,6-dione
IUPAC Name:1,3,7-trimethyl-8-[(1E,3E)-4-phenylbuta-1,3-dienyl]purine-2,6-dione
Traditional Name:1,3,7-trimethyl-8-[(1E,3E)-4-phenylbuta-1,3-dienyl]xanthine
Formula: C18H18N4O2
MolecularWeight: 322.36112
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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C=CC=CC3=CC=CC=C3


Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)/C=C/C=C/C3=CC=CC=C3


InChI

InChI=1S/C18H18N4O2/c1-20-14(12-8-7-11-13-9-5-4-6-10-13)19-16-15(20)17(23)22(3)18(24)21(16)2/h4-12H,1-3H3/b11-7+,12-8+


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