3-methyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-3-methyl-8-piperazino-xanthine Formula: C19H24N6O4 MolecularWeight: 400.43166

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)C[C@H](COC4=CC=CC=C4)O

InChI

InChI=1S/C19H24N6O4/c1-23-16-15(17(27)22-19(23)28)25(18(21-16)24-9-7-20-8-10-24)11-13(26)12-29-14-5-3-2-4-6-14/h2-6,13,20,26H,7-12H2,1H3,(H,22,27,28)/t13-/m1/s1