3-methyl-8-[[(2R)-2-oxidanylpropyl]amino]-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[[(2R)-2-oxidanylpropyl]amino]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[[(2R)-2-hydroxypropyl]amino]-3-methyl-purine-2,6-dione CAS Name: 8-[[(2R)-2-hydroxypropyl]amino]-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[[(2R)-2-hydroxypropyl]amino]-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-[[(2R)-2-hydroxypropyl]amino]-3-methyl-xanthine Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C)O

Isomeric SMILES

C[C@H](CNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C)O

InChI

InChI=1S/C16H19N5O3/c1-10(22)8-17-15-18-13-12(14(23)19-16(24)20(13)2)21(15)9-11-6-4-3-5-7-11/h3-7,10,22H,8-9H2,1-2H3,(H,17,18)(H,19,23,24)/t10-/m1/s1