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

Systemtic Name: 8-(2-diethylaminoethylamino)-3-methyl-7-[(2S)-2-oxidanyl-3-prop-2-enoxy-propyl]purine-2,6-dione Openeye Name: 7-[(2S)-3-allyloxy-2-hydroxy-propyl]-8-(2-diethylaminoethylamino)-3-methyl-purine-2,6-dione CAS Name: 8-(2-diethylaminoethylamino)-7-[(2S)-2-hydroxy-3-prop-2-enoxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-diethylaminoethylamino)-7-[(2S)-2-hydroxy-3-prop-2-enoxypropyl]-3-methylpurine-2,6-dione Traditional Name: 7-[(2S)-3-allyloxy-2-hydroxy-propyl]-8-(2-diethylaminoethylamino)-3-methyl-xanthine Formula: C18H30N6O4 MolecularWeight: 394.4686

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC2=C(N1CC(COCC=C)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCN(CC)CCNC1=NC2=C(N1C[C@@H](COCC=C)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H30N6O4/c1-5-10-28-12-13(25)11-24-14-15(22(4)18(27)21-16(14)26)20-17(24)19-8-9-23(6-2)7-3/h5,13,25H,1,6-12H2,2-4H3,(H,19,20)(H,21,26,27)/t13-/m0/s1