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

Systemtic Name: 8-[3-(dimethylamino)propylamino]-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione Openeye Name: 8-[3-(dimethylamino)propylamino]-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione CAS Name: 8-[3-(dimethylamino)propylamino]-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione IUPAC Name: 8-[3-(dimethylamino)propylamino]-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione Traditional Name: 8-[3-(dimethylamino)propylamino]-1,3-dimethyl-7-(4-nitrobenzyl)xanthine Formula: C19H25N7O4 MolecularWeight: 415.4463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N7O4/c1-22(2)11-5-10-20-18-21-16-15(17(27)24(4)19(28)23(16)3)25(18)12-13-6-8-14(9-7-13)26(29)30/h6-9H,5,10-12H2,1-4H3,(H,20,21)