7-[2-[bis(phenylmethyl)amino]ethyl]-3-methyl-purine-2,6-dione

Systemtic Name: 7-[2-[bis(phenylmethyl)amino]ethyl]-3-methyl-purine-2,6-dione Openeye Name: 7-[2-(dibenzylamino)ethyl]-3-methyl-purine-2,6-dione CAS Name: 7-[2-[bis(phenylmethyl)amino]ethyl]-3-methylpurine-2,6-dione IUPAC Name: 7-[2-(dibenzylamino)ethyl]-3-methylpurine-2,6-dione Traditional Name: 7-[2-(dibenzylamino)ethyl]-3-methyl-xanthine Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CCN(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CCN(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2/c1-25-20-19(21(28)24-22(25)29)27(16-23-20)13-12-26(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,24,28,29)