3-[2-(4-nitrophenyl)ethyl]-1-propyl-8-(1H-pyrazol-5-ylmethyl)-7H-purine-2,6-dione

Systemtic Name: 3-[2-(4-nitrophenyl)ethyl]-1-propyl-8-(1H-pyrazol-5-ylmethyl)-7H-purine-2,6-dione Openeye Name: 3-[2-(4-nitrophenyl)ethyl]-1-propyl-8-(1H-pyrazol-5-ylmethyl)-7H-purine-2,6-dione CAS Name: 3-[2-(4-nitrophenyl)ethyl]-1-propyl-8-(1H-pyrazol-5-ylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-[2-(4-nitrophenyl)ethyl]-1-propyl-8-(1H-pyrazol-5-ylmethyl)-7H-purine-2,6-dione Traditional Name: 3-[2-(4-nitrophenyl)ethyl]-1-propyl-8-(1H-pyrazol-5-ylmethyl)-7H-purine-2,6-quinone Formula: C20H21N7O4 MolecularWeight: 423.42524

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=NN3)N(C1=O)CCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=NN3)N(C1=O)CCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N7O4/c1-2-10-26-19(28)17-18(23-16(22-17)12-14-7-9-21-24-14)25(20(26)29)11-8-13-3-5-15(6-4-13)27(30)31/h3-7,9H,2,8,10-12H2,1H3,(H,21,24)(H,22,23)