1-(3-methoxypropyl)-3-[2-(4-nitrophenyl)ethyl]-8-(phenylmethyl)-7H-purine-2,6-dione

Systemtic Name: 1-(3-methoxypropyl)-3-[2-(4-nitrophenyl)ethyl]-8-(phenylmethyl)-7H-purine-2,6-dione Openeye Name: 8-benzyl-1-(3-methoxypropyl)-3-[2-(4-nitrophenyl)ethyl]-7H-purine-2,6-dione CAS Name: 1-(3-methoxypropyl)-3-[2-(4-nitrophenyl)ethyl]-8-(phenylmethyl)-7H-purine-2,6-dione IUPAC Name: 8-benzyl-1-(3-methoxypropyl)-3-[2-(4-nitrophenyl)ethyl]-7H-purine-2,6-dione Traditional Name: 8-benzyl-1-(3-methoxypropyl)-3-[2-(4-nitrophenyl)ethyl]-7H-purine-2,6-quinone Formula: C24H25N5O5 MolecularWeight: 463.4858

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COCCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H25N5O5/c1-34-15-5-13-28-23(30)21-22(26-20(25-21)16-18-6-3-2-4-7-18)27(24(28)31)14-12-17-8-10-19(11-9-17)29(32)33/h2-4,6-11H,5,12-16H2,1H3,(H,25,26)