8-[bis(phenylmethyl)amino]-1,3-dimethyl-7-[(2S)-2-oxidanylpropyl]purine-2,6-dione

Systemtic Name: 8-[bis(phenylmethyl)amino]-1,3-dimethyl-7-[(2S)-2-oxidanylpropyl]purine-2,6-dione Openeye Name: 8-(dibenzylamino)-7-[(2S)-2-hydroxypropyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[bis(phenylmethyl)amino]-7-[(2S)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(dibenzylamino)-7-[(2S)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(dibenzylamino)-7-[(2S)-2-hydroxypropyl]-1,3-dimethyl-xanthine Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1N(CC3=CC=CC=C3)CC4=CC=CC=C4)N(C(=O)N(C2=O)C)C)O

Isomeric SMILES

C[C@@H](CN1C2=C(N=C1N(CC3=CC=CC=C3)CC4=CC=CC=C4)N(C(=O)N(C2=O)C)C)O

InChI

InChI=1S/C24H27N5O3/c1-17(30)14-29-20-21(26(2)24(32)27(3)22(20)31)25-23(29)28(15-18-10-6-4-7-11-18)16-19-12-8-5-9-13-19/h4-13,17,30H,14-16H2,1-3H3/t17-/m0/s1