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1,3-dimethyl-7-[3-(phenethylamino)propyl]purine-2,6-dione

1,3-dimethyl-7-[3-(phenethylamino)propyl]purine-2,6-dione

Systemtic Name:1,3-dimethyl-7-[3-(phenethylamino)propyl]purine-2,6-dione
Openeye Name:1,3-dimethyl-7-[3-(phenethylamino)propyl]purine-2,6-dione
CAS Name:1,3-dimethyl-7-[3-(phenethylamino)propyl]purine-2,6-dione
IUPAC Name:1,3-dimethyl-7-[3-(phenethylamino)propyl]purine-2,6-dione
Traditional Name:1,3-dimethyl-7-[3-(phenethylamino)propyl]xanthine
Formula: C18H23N5O2
MolecularWeight: 341.40752
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNCCC3=CC=CC=C3


Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNCCC3=CC=CC=C3


InChI

InChI=1S/C18H23N5O2/c1-21-16-15(17(24)22(2)18(21)25)23(13-20-16)12-6-10-19-11-9-14-7-4-3-5-8-14/h3-5,7-8,13,19H,6,9-12H2,1-2H3


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