3-methyl-8-[[(2-methylphenyl)amino]methyl]-7-phenacyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-[[(2-methylphenyl)amino]methyl]-7-phenacyl-purine-2,6-dione Openeye Name: 3-methyl-8-[(2-methylanilino)methyl]-7-phenacyl-purine-2,6-dione CAS Name: 3-methyl-8-[(2-methylanilino)methyl]-7-phenacylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(2-methylanilino)methyl]-7-phenacylpurine-2,6-dione Traditional Name: 3-methyl-8-(o-toluidinomethyl)-7-phenacyl-xanthine Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NCC2=NC3=C(N2CC(=O)C4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC=CC=C1NCC2=NC3=C(N2CC(=O)C4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C22H21N5O3/c1-14-8-6-7-11-16(14)23-12-18-24-20-19(21(29)25-22(30)26(20)2)27(18)13-17(28)15-9-4-3-5-10-15/h3-11,23H,12-13H2,1-2H3,(H,25,29,30)