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1-[3-(4-methoxyphenyl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione

1-[3-(4-methoxyphenyl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name:1-[3-(4-methoxyphenyl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione
Openeye Name:1-[3-(4-methoxyphenyl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione
CAS Name:1-[3-[(4-methoxyphenyl)thio]propyl]-3,7-dimethylpurine-2,6-dione
IUPAC Name:1-[3-(4-methoxyphenyl)sulfanylpropyl]-3,7-dimethylpurine-2,6-dione
Traditional Name:1-[3-[(4-methoxyphenyl)thio]propyl]-3,7-dimethyl-xanthine
Formula: C17H20N4O3S
MolecularWeight: 360.4307
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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=CC=C(C=C3)OC


Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=CC=C(C=C3)OC


InChI

InChI=1S/C17H20N4O3S/c1-19-11-18-15-14(19)16(22)21(17(23)20(15)2)9-4-10-25-13-7-5-12(24-3)6-8-13/h5-8,11H,4,9-10H2,1-3H3


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