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

Systemtic Name: 3-methyl-7-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-(benzylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-(benzylamino)-3-methyl-xanthine Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3)CC(COCC=C)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3)C[C@H](COCC=C)O

InChI

InChI=1S/C19H23N5O4/c1-3-9-28-12-14(25)11-24-15-16(23(2)19(27)22-17(15)26)21-18(24)20-10-13-7-5-4-6-8-13/h3-8,14,25H,1,9-12H2,2H3,(H,20,21)(H,22,26,27)/t14-/m1/s1