8-[(3,4-dimethylphenyl)amino]-1,3-dimethyl-7-phenethyl-purine-2,6-dione

Systemtic Name: 8-[(3,4-dimethylphenyl)amino]-1,3-dimethyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-(3,4-dimethylanilino)-1,3-dimethyl-7-phenethyl-purine-2,6-dione CAS Name: 8-(3,4-dimethylanilino)-1,3-dimethyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-(3,4-dimethylanilino)-1,3-dimethyl-7-phenethylpurine-2,6-dione Traditional Name: 8-(3,4-dimethylanilino)-1,3-dimethyl-7-phenethyl-xanthine Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C23H25N5O2/c1-15-10-11-18(14-16(15)2)24-22-25-20-19(21(29)27(4)23(30)26(20)3)28(22)13-12-17-8-6-5-7-9-17/h5-11,14H,12-13H2,1-4H3,(H,24,25)