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

Systemtic Name: 8-(furan-2-ylmethylamino)-3-methyl-7-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]purine-2,6-dione Openeye Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-(2-furylmethylamino)-3-methyl-purine-2,6-dione CAS Name: 8-(2-furanylmethylamino)-7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(furan-2-ylmethylamino)-7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-(2-furfurylamino)-3-methyl-xanthine Formula: C17H21N5O5 MolecularWeight: 375.37914

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)CC(COCC=C)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)C[C@H](COCC=C)O

InChI

InChI=1S/C17H21N5O5/c1-3-6-26-10-11(23)9-22-13-14(21(2)17(25)20-15(13)24)19-16(22)18-8-12-5-4-7-27-12/h3-5,7,11,23H,1,6,8-10H2,2H3,(H,18,19)(H,20,24,25)/t11-/m1/s1