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1,3-dimethyl-9-[2-(3-methylphenoxy)ethyl]-8-nitro-purine-2,6-dione

1,3-dimethyl-9-[2-(3-methylphenoxy)ethyl]-8-nitro-purine-2,6-dione

Systemtic Name:1,3-dimethyl-9-[2-(3-methylphenoxy)ethyl]-8-nitro-purine-2,6-dione
Openeye Name:1,3-dimethyl-9-[2-(3-methylphenoxy)ethyl]-8-nitro-purine-2,6-dione
CAS Name:1,3-dimethyl-9-[2-(3-methylphenoxy)ethyl]-8-nitropurine-2,6-dione
IUPAC Name:1,3-dimethyl-9-[2-(3-methylphenoxy)ethyl]-8-nitropurine-2,6-dione
Traditional Name:1,3-dimethyl-9-[2-(3-methylphenoxy)ethyl]-8-nitro-xanthine
Formula: C16H17N5O5
MolecularWeight: 359.33668
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCN2C3=C(C(=O)N(C(=O)N3C)C)N=C2[N+](=O)[O-]


Isomeric SMILES

CC1=CC(=CC=C1)OCCN2C3=C(C(=O)N(C(=O)N3C)C)N=C2[N+](=O)[O-]


InChI

InChI=1S/C16H17N5O5/c1-10-5-4-6-11(9-10)26-8-7-20-13-12(17-15(20)21(24)25)14(22)19(3)16(23)18(13)2/h4-6,9H,7-8H2,1-3H3


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