7-[(2R)-3-[(3,4-dimethylphenyl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2R)-3-[(3,4-dimethylphenyl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2R)-3-(3,4-dimethylanilino)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-3-(3,4-dimethylanilino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2R)-3-(3,4-dimethylanilino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2R)-3-(3,4-dimethylanilino)-2-hydroxy-propyl]-1,3-dimethyl-xanthine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC[C@H](CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O)C

InChI

InChI=1S/C18H23N5O3/c1-11-5-6-13(7-12(11)2)19-8-14(24)9-23-10-20-16-15(23)17(25)22(4)18(26)21(16)3/h5-7,10,14,19,24H,8-9H2,1-4H3/t14-/m1/s1