1,3-dimethyl-8-[[(2R)-2-oxidanylpropyl]amino]-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[[(2R)-2-oxidanylpropyl]amino]-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Openeye Name: 7-[(E)-cinnamyl]-8-[[(2R)-2-hydroxypropyl]amino]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[(2R)-2-hydroxypropyl]amino]-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione IUPAC Name: 8-[[(2R)-2-hydroxypropyl]amino]-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Traditional Name: 7-[(E)-cinnamyl]-8-[[(2R)-2-hydroxypropyl]amino]-1,3-dimethyl-xanthine Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC2=C(N1CC=CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C)O

Isomeric SMILES

C[C@H](CNC1=NC2=C(N1C/C=C/C3=CC=CC=C3)C(=O)N(C(=O)N2C)C)O

InChI

InChI=1S/C19H23N5O3/c1-13(25)12-20-18-21-16-15(17(26)23(3)19(27)22(16)2)24(18)11-7-10-14-8-5-4-6-9-14/h4-10,13,25H,11-12H2,1-3H3,(H,20,21)/b10-7+/t13-/m1/s1