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

Systemtic Name: 1,3-dimethyl-8-[[(2R)-1-oxidanylbutan-2-yl]amino]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[[(1R)-1-(hydroxymethyl)propyl]amino]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[(2R)-1-hydroxybutan-2-yl]amino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[[(2R)-1-hydroxybutan-2-yl]amino]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-[[(1R)-1-methylolpropyl]amino]xanthine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O3/c1-4-13(11-24)19-17-20-15-14(16(25)22(3)18(26)21(15)2)23(17)10-12-8-6-5-7-9-12/h5-9,13,24H,4,10-11H2,1-3H3,(H,19,20)/t13-/m1/s1