3,7-dimethyl-1-(phenylazanylmethyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(phenylazanylmethyl)purine-2,6-dione Openeye Name: 1-(anilinomethyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(anilinomethyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(anilinomethyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(anilinomethyl)-3,7-dimethyl-xanthine Formula: C14H15N5O2 MolecularWeight: 285.3012

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CNC3=CC=CC=C3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CNC3=CC=CC=C3

InChI

InChI=1S/C14H15N5O2/c1-17-8-16-12-11(17)13(20)19(14(21)18(12)2)9-15-10-6-4-3-5-7-10/h3-8,15H,9H2,1-2H3