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1,3-diethyl-8-[(E)-2-(4-methoxy-2,3-dimethyl-phenyl)ethenyl]-7-methyl-purine-2,6-dione

1,3-diethyl-8-[(E)-2-(4-methoxy-2,3-dimethyl-phenyl)ethenyl]-7-methyl-purine-2,6-dione

Systemtic Name:1,3-diethyl-8-[(E)-2-(4-methoxy-2,3-dimethyl-phenyl)ethenyl]-7-methyl-purine-2,6-dione
Openeye Name:1,3-diethyl-8-[(E)-2-(4-methoxy-2,3-dimethyl-phenyl)vinyl]-7-methyl-purine-2,6-dione
CAS Name:1,3-diethyl-8-[(E)-2-(4-methoxy-2,3-dimethylphenyl)ethenyl]-7-methylpurine-2,6-dione
IUPAC Name:1,3-diethyl-8-[(E)-2-(4-methoxy-2,3-dimethylphenyl)ethenyl]-7-methylpurine-2,6-dione
Traditional Name:1,3-diethyl-8-[(E)-2-(4-methoxy-2,3-dimethyl-phenyl)vinyl]-7-methyl-xanthine
Formula: C21H26N4O3
MolecularWeight: 382.45614
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H26N4O3/c1-7-24-19-18(20(26)25(8-2)21(24)27)23(5)17(22-19)12-10-15-9-11-16(28-6)14(4)13(15)3/h9-12H,7-8H2,1-6H3/b12-10+


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