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

Systemtic Name: 1,3-dimethyl-7-[3-[(2-methylphenyl)amino]-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(2-methylanilino)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(2-methylanilino)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(2-methylanilino)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(o-toluidino)propyl]-1,3-dimethyl-xanthine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NCC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

Isomeric SMILES

CC1=CC=CC=C1NCC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

InChI

InChI=1S/C17H21N5O3/c1-11-6-4-5-7-13(11)18-8-12(23)9-22-10-19-15-14(22)16(24)21(3)17(25)20(15)2/h4-7,10,12,18,23H,8-9H2,1-3H3