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

Systemtic Name: 3-[2-(2-nitrophenyl)ethyl]-1-propyl-8-(1H-1,2,4-triazol-5-ylmethyl)-7H-purine-2,6-dione Openeye Name: 3-[2-(2-nitrophenyl)ethyl]-1-propyl-8-(1H-1,2,4-triazol-5-ylmethyl)-7H-purine-2,6-dione CAS Name: 3-[2-(2-nitrophenyl)ethyl]-1-propyl-8-(1H-1,2,4-triazol-5-ylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-[2-(2-nitrophenyl)ethyl]-1-propyl-8-(1H-1,2,4-triazol-5-ylmethyl)-7H-purine-2,6-dione Traditional Name: 3-[2-(2-nitrophenyl)ethyl]-1-propyl-8-(1H-1,2,4-triazol-5-ylmethyl)-7H-purine-2,6-quinone Formula: C19H20N8O4 MolecularWeight: 424.4133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N8O4/c1-2-8-26-18(28)16-17(23-15(22-16)10-14-20-11-21-24-14)25(19(26)29)9-7-12-5-3-4-6-13(12)27(30)31/h3-6,11H,2,7-10H2,1H3,(H,22,23)(H,20,21,24)