1,3-dimethyl-7-[2-[(4-methylphenyl)amino]ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-[(4-methylphenyl)amino]ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(4-methylanilino)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(4-methylanilino)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(4-methylanilino)ethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-(p-toluidino)ethyl]xanthine Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(C=C1)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H19N5O2/c1-11-4-6-12(7-5-11)17-8-9-21-10-18-14-13(21)15(22)20(3)16(23)19(14)2/h4-7,10,17H,8-9H2,1-3H3