7-[(2R)-3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(pentylamino)purine-2,6-dione

Systemtic Name: 7-[(2R)-3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(pentylamino)purine-2,6-dione Openeye Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-8-(pentylamino)purine-2,6-dione CAS Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(pentylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(pentylamino)purine-2,6-dione Traditional Name: 8-(amylamino)-7-[(2R)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-xanthine Formula: C20H26ClN5O4 MolecularWeight: 435.90454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCNC1=NC2=C(N1C[C@H](COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C20H26ClN5O4/c1-3-4-5-10-22-19-23-17-16(18(28)24-20(29)25(17)2)26(19)11-14(27)12-30-15-8-6-13(21)7-9-15/h6-9,14,27H,3-5,10-12H2,1-2H3,(H,22,23)(H,24,28,29)/t14-/m1/s1