1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-[[(2R)-4-oxidanylbutan-2-yl]amino]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-[[(2R)-4-oxidanylbutan-2-yl]amino]purine-2,6-dione Openeye Name: 8-[[(1R)-3-hydroxy-1-methyl-propyl]amino]-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-[[(2R)-4-hydroxybutan-2-yl]amino]-1,3-dimethyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-[[(2R)-4-hydroxybutan-2-yl]amino]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-[[(1R)-3-hydroxy-1-methyl-propyl]amino]-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCO)NC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)N(C(=O)N2C)C

Isomeric SMILES

C[C@H](CCO)NC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C22H25N5O3/c1-14(11-12-28)23-21-24-19-18(20(29)26(3)22(30)25(19)2)27(21)13-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,14,28H,11-13H2,1-3H3,(H,23,24)/t14-/m1/s1