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

Systemtic Name: 3-methyl-8-[[(2R)-2-oxidanylpropyl]amino]-7-(3-phenoxypropyl)purine-2,6-dione Openeye Name: 8-[[(2R)-2-hydroxypropyl]amino]-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione CAS Name: 8-[[(2R)-2-hydroxypropyl]amino]-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione IUPAC Name: 8-[[(2R)-2-hydroxypropyl]amino]-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione Traditional Name: 8-[[(2R)-2-hydroxypropyl]amino]-3-methyl-7-(3-phenoxypropyl)xanthine Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC2=C(N1CCCOC3=CC=CC=C3)C(=O)NC(=O)N2C)O

Isomeric SMILES

C[C@H](CNC1=NC2=C(N1CCCOC3=CC=CC=C3)C(=O)NC(=O)N2C)O

InChI

InChI=1S/C18H23N5O4/c1-12(24)11-19-17-20-15-14(16(25)21-18(26)22(15)2)23(17)9-6-10-27-13-7-4-3-5-8-13/h3-5,7-8,12,24H,6,9-11H2,1-2H3,(H,19,20)(H,21,25,26)/t12-/m1/s1