8-(2-methoxyethylamino)-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione

Systemtic Name: 8-(2-methoxyethylamino)-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione Openeye Name: 8-(2-methoxyethylamino)-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione CAS Name: 8-(2-methoxyethylamino)-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione IUPAC Name: 8-(2-methoxyethylamino)-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione Traditional Name: 8-(2-methoxyethylamino)-1,3-dimethyl-7-(4-nitrobenzyl)xanthine Formula: C17H20N6O5 MolecularWeight: 388.3779

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCOC)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCOC)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O5/c1-20-14-13(15(24)21(2)17(20)25)22(16(19-14)18-8-9-28-3)10-11-4-6-12(7-5-11)23(26)27/h4-7H,8-10H2,1-3H3,(H,18,19)