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

Systemtic Name: 3-[2-(3-nitrophenyl)ethyl]-1-propyl-8-(pyridazin-4-ylmethyl)-7H-purine-2,6-dione Openeye Name: 3-[2-(3-nitrophenyl)ethyl]-1-propyl-8-(pyridazin-4-ylmethyl)-7H-purine-2,6-dione CAS Name: 3-[2-(3-nitrophenyl)ethyl]-1-propyl-8-(4-pyridazinylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-[2-(3-nitrophenyl)ethyl]-1-propyl-8-(pyridazin-4-ylmethyl)-7H-purine-2,6-dione Traditional Name: 3-[2-(3-nitrophenyl)ethyl]-1-propyl-8-(pyridazin-4-ylmethyl)-7H-purine-2,6-quinone Formula: C21H21N7O4 MolecularWeight: 435.43594

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=CN=NC=C3)N(C1=O)CCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=CN=NC=C3)N(C1=O)CCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N7O4/c1-2-9-27-20(29)18-19(25-17(24-18)12-15-6-8-22-23-13-15)26(21(27)30)10-7-14-4-3-5-16(11-14)28(31)32/h3-6,8,11,13H,2,7,9-10,12H2,1H3,(H,24,25)