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

Systemtic Name: 1,3-dimethyl-8-morpholin-4-yl-7-[(4-nitrophenyl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-8-morpholino-7-[(4-nitrophenyl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-morpholinyl)-7-[(4-nitrophenyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-morpholin-4-yl-7-[(4-nitrophenyl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-8-morpholino-7-(4-nitrobenzyl)xanthine Formula: C18H20N6O5 MolecularWeight: 400.3886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O5/c1-20-15-14(16(25)21(2)18(20)26)23(17(19-15)22-7-9-29-10-8-22)11-12-3-5-13(6-4-12)24(27)28/h3-6H,7-11H2,1-2H3