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

Systemtic Name: 3-[2-(4-nitrophenyl)ethyl]-8-(phenylmethyl)-1-propyl-7H-purine-2,6-dione Openeye Name: 8-benzyl-3-[2-(4-nitrophenyl)ethyl]-1-propyl-7H-purine-2,6-dione CAS Name: 3-[2-(4-nitrophenyl)ethyl]-8-(phenylmethyl)-1-propyl-7H-purine-2,6-dione IUPAC Name: 8-benzyl-3-[2-(4-nitrophenyl)ethyl]-1-propyl-7H-purine-2,6-dione Traditional Name: 8-benzyl-3-[2-(4-nitrophenyl)ethyl]-1-propyl-7H-purine-2,6-quinone Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O4/c1-2-13-27-22(29)20-21(25-19(24-20)15-17-6-4-3-5-7-17)26(23(27)30)14-12-16-8-10-18(11-9-16)28(31)32/h3-11H,2,12-15H2,1H3,(H,24,25)