3-methyl-7-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]-8-(phenethylamino)purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]-8-(phenethylamino)purine-2,6-dione Openeye Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-3-methyl-8-(phenethylamino)purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methyl-8-(phenethylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methyl-8-(phenethylamino)purine-2,6-dione Traditional Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-3-methyl-8-(phenethylamino)xanthine Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC=CC=C3)CC(COCC=C)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC=CC=C3)C[C@H](COCC=C)O

InChI

InChI=1S/C20H25N5O4/c1-3-11-29-13-15(26)12-25-16-17(24(2)20(28)23-18(16)27)22-19(25)21-10-9-14-7-5-4-6-8-14/h3-8,15,26H,1,9-13H2,2H3,(H,21,22)(H,23,27,28)/t15-/m1/s1