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

Systemtic Name: 3-[2-(4-nitrophenyl)ethyl]-1-propyl-8-(pyridin-3-ylmethyl)-7H-purine-2,6-dione Openeye Name: 3-[2-(4-nitrophenyl)ethyl]-1-propyl-8-(3-pyridylmethyl)-7H-purine-2,6-dione CAS Name: 3-[2-(4-nitrophenyl)ethyl]-1-propyl-8-(3-pyridinylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-[2-(4-nitrophenyl)ethyl]-1-propyl-8-(pyridin-3-ylmethyl)-7H-purine-2,6-dione Traditional Name: 3-[2-(4-nitrophenyl)ethyl]-1-propyl-8-(3-pyridylmethyl)-7H-purine-2,6-quinone Formula: C22H22N6O4 MolecularWeight: 434.44788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O4/c1-2-11-27-21(29)19-20(25-18(24-19)13-16-4-3-10-23-14-16)26(22(27)30)12-9-15-5-7-17(8-6-15)28(31)32/h3-8,10,14H,2,9,11-13H2,1H3,(H,24,25)