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1,3,7-trimethyl-8-[(E)-2-(2-methylphenyl)ethenyl]purine-2,6-dione

1,3,7-trimethyl-8-[(E)-2-(2-methylphenyl)ethenyl]purine-2,6-dione

Systemtic Name:1,3,7-trimethyl-8-[(E)-2-(2-methylphenyl)ethenyl]purine-2,6-dione
Openeye Name:1,3,7-trimethyl-8-[(E)-2-(o-tolyl)vinyl]purine-2,6-dione
CAS Name:1,3,7-trimethyl-8-[(E)-2-(2-methylphenyl)ethenyl]purine-2,6-dione
IUPAC Name:1,3,7-trimethyl-8-[(E)-2-(2-methylphenyl)ethenyl]purine-2,6-dione
Traditional Name:1,3,7-trimethyl-8-[(E)-2-(o-tolyl)vinyl]xanthine
Formula: C17H18N4O2
MolecularWeight: 310.35042
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C


Isomeric SMILES

CC1=CC=CC=C1/C=C/C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C


InChI

InChI=1S/C17H18N4O2/c1-11-7-5-6-8-12(11)9-10-13-18-15-14(19(13)2)16(22)21(4)17(23)20(15)3/h5-10H,1-4H3/b10-9+


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