3-methyl-7-phenacyl-8-(phenylazanylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-7-phenacyl-8-(phenylazanylmethyl)purine-2,6-dione Openeye Name: 8-(anilinomethyl)-3-methyl-7-phenacyl-purine-2,6-dione CAS Name: 8-(anilinomethyl)-3-methyl-7-phenacylpurine-2,6-dione IUPAC Name: 8-(anilinomethyl)-3-methyl-7-phenacylpurine-2,6-dione Traditional Name: 8-(anilinomethyl)-3-methyl-7-phenacyl-xanthine Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC=CC=C3)CC(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC=CC=C3)CC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5O3/c1-25-19-18(20(28)24-21(25)29)26(13-16(27)14-8-4-2-5-9-14)17(23-19)12-22-15-10-6-3-7-11-15/h2-11,22H,12-13H2,1H3,(H,24,28,29)