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

Systemtic Name: 7-[2-(cyclohexen-1-yl)ethyl]-8-(3-nitrophenyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-[2-(cyclohexen-1-yl)ethyl]-8-(3-nitrophenyl)purine-2,6-dione CAS Name: 7-[2-(1-cyclohexenyl)ethyl]-8-(3-nitrophenyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-[2-(cyclohexen-1-yl)ethyl]-8-(3-nitrophenyl)purine-2,6-dione Traditional Name: 3-benzyl-7-[2-(cyclohexen-1-yl)ethyl]-8-(3-nitrophenyl)xanthine Formula: C26H25N5O4 MolecularWeight: 471.5078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C3=C(N=C2C4=CC(=CC=C4)[N+](=O)[O-])N(C(=O)NC3=O)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(=CC1)CCN2C3=C(N=C2C4=CC(=CC=C4)[N+](=O)[O-])N(C(=O)NC3=O)CC5=CC=CC=C5

InChI

InChI=1S/C26H25N5O4/c32-25-22-24(30(26(33)28-25)17-19-10-5-2-6-11-19)27-23(20-12-7-13-21(16-20)31(34)35)29(22)15-14-18-8-3-1-4-9-18/h2,5-8,10-13,16H,1,3-4,9,14-15,17H2,(H,28,32,33)