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

Systemtic Name: 3-methyl-8-[methyl-(phenylmethyl)amino]-7-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 8-[benzyl(methyl)amino]-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-[benzyl(methyl)amino]-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-xanthine Formula: C23H24N6O6 MolecularWeight: 480.47326

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CC3=CC=CC=C3)CC(COC4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CC3=CC=CC=C3)CC(COC4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C23H24N6O6/c1-26(12-15-6-4-3-5-7-15)22-24-20-19(21(31)25-23(32)27(20)2)28(22)13-17(30)14-35-18-10-8-16(9-11-18)29(33)34/h3-11,17,30H,12-14H2,1-2H3,(H,25,31,32)