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

Systemtic Name: 3-methyl-8-[methyl-(phenylmethyl)amino]-7-[(2R)-2-oxidanylpropyl]purine-2,6-dione Openeye Name: 8-[benzyl(methyl)amino]-7-[(2R)-2-hydroxypropyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxypropyl]-3-methyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-7-[(2R)-2-hydroxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-[benzyl(methyl)amino]-7-[(2R)-2-hydroxypropyl]-3-methyl-xanthine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C)O

Isomeric SMILES

C[C@H](CN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C17H21N5O3/c1-11(23)9-22-13-14(21(3)17(25)19-15(13)24)18-16(22)20(2)10-12-7-5-4-6-8-12/h4-8,11,23H,9-10H2,1-3H3,(H,19,24,25)/t11-/m1/s1