1,3-dimethyl-7-(phenylmethyl)-8-(1,2,4-triazol-1-yl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(phenylmethyl)-8-(1,2,4-triazol-1-yl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-(1,2,4-triazol-1-yl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(phenylmethyl)-8-(1,2,4-triazol-1-yl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-(1,2,4-triazol-1-yl)purine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-(1,2,4-triazol-1-yl)xanthine Formula: C16H15N7O2 MolecularWeight: 337.336

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3C=NC=N3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3C=NC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C16H15N7O2/c1-20-13-12(14(24)21(2)16(20)25)22(8-11-6-4-3-5-7-11)15(19-13)23-10-17-9-18-23/h3-7,9-10H,8H2,1-2H3