3-methyl-7-[(2S)-2-oxidanyl-3-propan-2-yloxy-propyl]-8-(prop-2-enylamino)purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2S)-2-oxidanyl-3-propan-2-yloxy-propyl]-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-7-[(2S)-2-hydroxy-3-isopropoxy-propyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-7-[(2S)-2-hydroxy-3-isopropoxy-propyl]-3-methyl-xanthine Formula: C15H23N5O4 MolecularWeight: 337.37422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1C2=C(N=C1NCC=C)N(C(=O)NC2=O)C)O

Isomeric SMILES

CC(C)OC[C@H](CN1C2=C(N=C1NCC=C)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C15H23N5O4/c1-5-6-16-14-17-12-11(13(22)18-15(23)19(12)4)20(14)7-10(21)8-24-9(2)3/h5,9-10,21H,1,6-8H2,2-4H3,(H,16,17)(H,18,22,23)/t10-/m0/s1