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1-[3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione

1-[3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name:1-[3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione
Openeye Name:1-[3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione
CAS Name:1-[3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]propyl]-3,7-dimethylpurine-2,6-dione
IUPAC Name:1-[3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethylpurine-2,6-dione
Traditional Name:1-[3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]propyl]-3,7-dimethyl-xanthine
Formula: C17H23N7O2S
MolecularWeight: 389.47522
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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)C4CC4


Isomeric SMILES

CCN1C(=NN=C1SCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)C4CC4


InChI

InChI=1S/C17H23N7O2S/c1-4-23-13(11-6-7-11)19-20-16(23)27-9-5-8-24-15(25)12-14(18-10-21(12)2)22(3)17(24)26/h10-11H,4-9H2,1-3H3


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