7-[2-[(diphenylmethyl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[(diphenylmethyl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(benzhydrylamino)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[(diphenylmethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(benzhydrylamino)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(benzhydrylamino)ethyl]-1,3-dimethyl-xanthine Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O2/c1-25-20-19(21(28)26(2)22(25)29)27(15-24-20)14-13-23-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18,23H,13-14H2,1-2H3