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

Systemtic Name: 3-[2-(3-nitrophenyl)ethyl]-8-(phenylmethyl)-1-propyl-7H-purine-2,6-dione Openeye Name: 8-benzyl-3-[2-(3-nitrophenyl)ethyl]-1-propyl-7H-purine-2,6-dione CAS Name: 3-[2-(3-nitrophenyl)ethyl]-8-(phenylmethyl)-1-propyl-7H-purine-2,6-dione IUPAC Name: 8-benzyl-3-[2-(3-nitrophenyl)ethyl]-1-propyl-7H-purine-2,6-dione Traditional Name: 8-benzyl-3-[2-(3-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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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