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

Systemtic Name: 1,3-diethyl-8-phenylazanyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 8-anilino-7-benzyl-1,3-diethyl-purine-2,6-dione CAS Name: 8-anilino-1,3-diethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-anilino-7-benzyl-1,3-diethylpurine-2,6-dione Traditional Name: 8-anilino-7-benzyl-1,3-diethyl-xanthine Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2/c1-3-25-19-18(20(28)26(4-2)22(25)29)27(15-16-11-7-5-8-12-16)21(24-19)23-17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3,(H,23,24)