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

Systemtic Name: 1,3-dimethyl-9-[(3-methylphenyl)methyl]-8-nitro-purine-2,6-dione Openeye Name: 1,3-dimethyl-9-(m-tolylmethyl)-8-nitro-purine-2,6-dione CAS Name: 1,3-dimethyl-9-[(3-methylphenyl)methyl]-8-nitropurine-2,6-dione IUPAC Name: 1,3-dimethyl-9-[(3-methylphenyl)methyl]-8-nitropurine-2,6-dione Traditional Name: 1,3-dimethyl-9-(3-methylbenzyl)-8-nitro-xanthine Formula: C15H15N5O4 MolecularWeight: 329.3107

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2[N+](=O)[O-]

InChI

InChI=1S/C15H15N5O4/c1-9-5-4-6-10(7-9)8-19-12-11(16-14(19)20(23)24)13(21)18(3)15(22)17(12)2/h4-7H,8H2,1-3H3