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

Systemtic Name: 3-[2-(3-nitrophenyl)ethyl]-8-(1,2,4-oxadiazol-5-ylmethyl)-1-propyl-7H-purine-2,6-dione Openeye Name: 3-[2-(3-nitrophenyl)ethyl]-8-(1,2,4-oxadiazol-5-ylmethyl)-1-propyl-7H-purine-2,6-dione CAS Name: 3-[2-(3-nitrophenyl)ethyl]-8-(1,2,4-oxadiazol-5-ylmethyl)-1-propyl-7H-purine-2,6-dione IUPAC Name: 3-[2-(3-nitrophenyl)ethyl]-8-(1,2,4-oxadiazol-5-ylmethyl)-1-propyl-7H-purine-2,6-dione Traditional Name: 3-[2-(3-nitrophenyl)ethyl]-8-(1,2,4-oxadiazol-5-ylmethyl)-1-propyl-7H-purine-2,6-quinone Formula: C19H19N7O5 MolecularWeight: 425.39806

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=NC=NO3)N(C1=O)CCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=NC=NO3)N(C1=O)CCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N7O5/c1-2-7-25-18(27)16-17(23-14(22-16)10-15-20-11-21-31-15)24(19(25)28)8-6-12-4-3-5-13(9-12)26(29)30/h3-5,9,11H,2,6-8,10H2,1H3,(H,22,23)