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

Systemtic Name: 3-methyl-8-[[(2R)-2-oxidanylpropyl]amino]-7-(2-phenoxyethyl)purine-2,6-dione Openeye Name: 8-[[(2R)-2-hydroxypropyl]amino]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 8-[[(2R)-2-hydroxypropyl]amino]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione IUPAC Name: 8-[[(2R)-2-hydroxypropyl]amino]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 8-[[(2R)-2-hydroxypropyl]amino]-3-methyl-7-(2-phenoxyethyl)xanthine Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC2=C(N1CCOC3=CC=CC=C3)C(=O)NC(=O)N2C)O

Isomeric SMILES

C[C@H](CNC1=NC2=C(N1CCOC3=CC=CC=C3)C(=O)NC(=O)N2C)O

InChI

InChI=1S/C17H21N5O4/c1-11(23)10-18-16-19-14-13(15(24)20-17(25)21(14)2)22(16)8-9-26-12-6-4-3-5-7-12/h3-7,11,23H,8-10H2,1-2H3,(H,18,19)(H,20,24,25)/t11-/m1/s1