1,3-dimethyl-8-phenylazanyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-phenylazanyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 8-anilino-7-benzyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-anilino-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-anilino-7-benzyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-anilino-7-benzyl-1,3-dimethyl-xanthine Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H19N5O2/c1-23-17-16(18(26)24(2)20(23)27)25(13-14-9-5-3-6-10-14)19(22-17)21-15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,21,22)