7-methyl-8-nitro-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-methyl-8-nitro-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-methyl-8-nitro-purine-2,6-dione CAS Name: 7-methyl-8-nitro-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-methyl-8-nitropurine-2,6-dione Traditional Name: 3-benzyl-7-methyl-8-nitro-xanthine Formula: C13H11N5O4 MolecularWeight: 301.25754

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)NC2=O)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)NC2=O)CC3=CC=CC=C3

InChI

InChI=1S/C13H11N5O4/c1-16-9-10(14-12(16)18(21)22)17(13(20)15-11(9)19)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,15,19,20)