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1,3-dimethyl-7-[2-[phenyl(propan-2-yl)amino]ethyl]purine-2,6-dione

1,3-dimethyl-7-[2-[phenyl(propan-2-yl)amino]ethyl]purine-2,6-dione

Systemtic Name:1,3-dimethyl-7-[2-[phenyl(propan-2-yl)amino]ethyl]purine-2,6-dione
Openeye Name:7-[2-(N-isopropylanilino)ethyl]-1,3-dimethyl-purine-2,6-dione
CAS Name:1,3-dimethyl-7-[2-(N-propan-2-ylanilino)ethyl]purine-2,6-dione
IUPAC Name:1,3-dimethyl-7-[2-(N-propan-2-ylanilino)ethyl]purine-2,6-dione
Traditional Name:7-[2-(N-isopropylanilino)ethyl]-1,3-dimethyl-xanthine
Formula: C18H23N5O2
MolecularWeight: 341.40752
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=CC=C3


Isomeric SMILES

CC(C)N(CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=CC=C3


InChI

InChI=1S/C18H23N5O2/c1-13(2)23(14-8-6-5-7-9-14)11-10-22-12-19-16-15(22)17(24)21(4)18(25)20(16)3/h5-9,12-13H,10-11H2,1-4H3


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