3-methyl-7-[(2S)-2-oxidanylpropyl]-8-(3-propan-2-yloxypropylamino)purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2S)-2-oxidanylpropyl]-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxypropyl]-8-(3-isopropoxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxypropyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxypropyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxypropyl]-8-(3-isopropoxypropylamino)-3-methyl-xanthine Formula: C15H25N5O4 MolecularWeight: 339.3901

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=NC2=C(N1CC(C)O)C(=O)NC(=O)N2C

Isomeric SMILES

C[C@@H](CN1C2=C(N=C1NCCCOC(C)C)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C15H25N5O4/c1-9(2)24-7-5-6-16-14-17-12-11(20(14)8-10(3)21)13(22)18-15(23)19(12)4/h9-10,21H,5-8H2,1-4H3,(H,16,17)(H,18,22,23)/t10-/m0/s1