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

Systemtic Name: 3-methyl-7-[(2R)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]-8-(pentylamino)purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-(pentylamino)purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-(pentylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-(pentylamino)purine-2,6-dione Traditional Name: 8-(amylamino)-7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-xanthine Formula: C20H26N6O6 MolecularWeight: 446.45704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC2=C(N1CC(COC3=CC=C(C=C3)[N+](=O)[O-])O)C(=O)NC(=O)N2C

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O6/c1-3-4-5-10-21-19-22-17-16(18(28)23-20(29)24(17)2)25(19)11-14(27)12-32-15-8-6-13(7-9-15)26(30)31/h6-9,14,27H,3-5,10-12H2,1-2H3,(H,21,22)(H,23,28,29)/t14-/m1/s1