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

Systemtic Name: 3-methyl-7-[(2S)-2-oxidanylpropyl]-8-(propan-2-ylamino)purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxypropyl]-8-(isopropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxypropyl]-3-methyl-8-(propan-2-ylamino)purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxypropyl]-3-methyl-8-(propan-2-ylamino)purine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxypropyl]-8-(isopropylamino)-3-methyl-xanthine Formula: C12H19N5O3 MolecularWeight: 281.31096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC2=C(N1CC(C)O)C(=O)NC(=O)N2C

Isomeric SMILES

C[C@@H](CN1C2=C(N=C1NC(C)C)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C12H19N5O3/c1-6(2)13-11-14-9-8(17(11)5-7(3)18)10(19)15-12(20)16(9)4/h6-7,18H,5H2,1-4H3,(H,13,14)(H,15,19,20)/t7-/m0/s1