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

Systemtic Name: 7-ethyl-1-[(3-nitrophenyl)methyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-[(3-nitrophenyl)methyl]purine-2,6-dione CAS Name: 7-ethyl-1-[(3-nitrophenyl)methyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-[(3-nitrophenyl)methyl]purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-(3-nitrobenzyl)xanthine Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O4/c1-2-23-14-22-19-18(23)20(27)25(13-16-9-6-10-17(11-16)26(29)30)21(28)24(19)12-15-7-4-3-5-8-15/h3-11,14H,2,12-13H2,1H3