1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-nitro-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-nitro-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-nitro-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-nitropurine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-nitropurine-2,6-dione Traditional Name: 1,3-dimethyl-7-(4-methylbenzyl)-8-nitro-xanthine Formula: C15H15N5O4 MolecularWeight: 329.3107

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2[N+](=O)[O-])N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2[N+](=O)[O-])N(C(=O)N(C3=O)C)C

InChI

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