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

Systemtic Name: 3-methyl-7-[(2R)-3-(3-methylphenoxy)-2-oxidanyl-propyl]-8-(pentylamino)purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-(pentylamino)purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-(pentylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-(pentylamino)purine-2,6-dione Traditional Name: 8-(amylamino)-7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-xanthine Formula: C21H29N5O4 MolecularWeight: 415.48606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O4/c1-4-5-6-10-22-20-23-18-17(19(28)24-21(29)25(18)3)26(20)12-15(27)13-30-16-9-7-8-14(2)11-16/h7-9,11,15,27H,4-6,10,12-13H2,1-3H3,(H,22,23)(H,24,28,29)/t15-/m1/s1