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8-heptylsulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione

8-heptylsulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name:8-heptylsulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
Openeye Name:8-heptylsulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
CAS Name:8-(heptylthio)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
IUPAC Name:8-heptylsulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
Traditional Name:8-(heptylthio)-3-methyl-7-(3-phenylpropyl)xanthine
Formula: C22H30N4O2S
MolecularWeight: 414.5642
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C


Isomeric SMILES

CCCCCCCSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C


InChI

InChI=1S/C22H30N4O2S/c1-3-4-5-6-10-16-29-22-23-19-18(20(27)24-21(28)25(19)2)26(22)15-11-14-17-12-8-7-9-13-17/h7-9,12-13H,3-6,10-11,14-16H2,1-2H3,(H,24,27,28)


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