8-[[(2R)-1-(2-hydroxyethylamino)butan-2-yl]amino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[[(2R)-1-(2-hydroxyethylamino)butan-2-yl]amino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[[(1R)-1-[(2-hydroxyethylamino)methyl]propyl]amino]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[(2R)-1-(2-hydroxyethylamino)butan-2-yl]amino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[[(2R)-1-(2-hydroxyethylamino)butan-2-yl]amino]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-[[(1R)-1-[(2-hydroxyethylamino)methyl]propyl]amino]-1,3-dimethyl-xanthine Formula: C20H28N6O3 MolecularWeight: 400.47472

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNCCO)NC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC[C@H](CNCCO)NC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H28N6O3/c1-4-15(12-21-10-11-27)22-19-23-17-16(18(28)25(3)20(29)24(17)2)26(19)13-14-8-6-5-7-9-14/h5-9,15,21,27H,4,10-13H2,1-3H3,(H,22,23)/t15-/m1/s1