1-(benzotriazol-1-ylmethyl)-7-methyl-3-phenyl-purine-2,6-dione

Systemtic Name: 1-(benzotriazol-1-ylmethyl)-7-methyl-3-phenyl-purine-2,6-dione Openeye Name: 1-(benzotriazol-1-ylmethyl)-7-methyl-3-phenyl-purine-2,6-dione CAS Name: 1-(1-benzotriazolylmethyl)-7-methyl-3-phenylpurine-2,6-dione IUPAC Name: 1-(benzotriazol-1-ylmethyl)-7-methyl-3-phenylpurine-2,6-dione Traditional Name: 1-(benzotriazol-1-ylmethyl)-7-methyl-3-phenyl-xanthine Formula: C19H15N7O2 MolecularWeight: 373.3681

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C19H15N7O2/c1-23-11-20-17-16(23)18(27)24(19(28)26(17)13-7-3-2-4-8-13)12-25-15-10-6-5-9-14(15)21-22-25/h2-11H,12H2,1H3