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

Systemtic Name: 8-(cyclohexylamino)-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-(cyclohexylamino)-3-methyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-(cyclohexylamino)-3-methyl-xanthine Formula: C18H27N5O4 MolecularWeight: 377.43808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)CC(COCC=C)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)C[C@H](COCC=C)O

InChI

InChI=1S/C18H27N5O4/c1-3-9-27-11-13(24)10-23-14-15(22(2)18(26)21-16(14)25)20-17(23)19-12-7-5-4-6-8-12/h3,12-13,24H,1,4-11H2,2H3,(H,19,20)(H,21,25,26)/t13-/m1/s1