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

Systemtic Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione Openeye Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione CAS Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione IUPAC Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione Traditional Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-(4-nitrobenzyl)xanthine Formula: C17H21N7O4 MolecularWeight: 387.39314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN(C)C)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN(C)C)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N7O4/c1-21(2)9-8-18-16-19-14-13(15(25)20-17(26)22(14)3)23(16)10-11-4-6-12(7-5-11)24(27)28/h4-7H,8-10H2,1-3H3,(H,18,19)(H,20,25,26)