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7-heptyl-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione

7-heptyl-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione

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

Canonical SMILES:

CCCCCCCN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)NC2=O)C


Isomeric SMILES

CCCCCCCN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)NC2=O)C


InChI

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


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