1,3-dimethyl-4-(2-phenoxyethyl)-7-(phenylmethyl)-5H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-4-(2-phenoxyethyl)-7-(phenylmethyl)-5H-purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-4-(2-phenoxyethyl)-5H-purine-2,6-dione CAS Name: 1,3-dimethyl-4-(2-phenoxyethyl)-7-(phenylmethyl)-5H-purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-4-(2-phenoxyethyl)-5H-purine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-4-(2-phenoxyethyl)-5H-purine-2,6-quinone Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2C(N=CN2CC3=CC=CC=C3)(N(C1=O)C)CCOC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2C(N=CN2CC3=CC=CC=C3)(N(C1=O)C)CCOC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3/c1-24-20(27)19-22(25(2)21(24)28,13-14-29-18-11-7-4-8-12-18)23-16-26(19)15-17-9-5-3-6-10-17/h3-12,16,19H,13-15H2,1-2H3