1-(cyclopropylmethyl)-7-[(4-nitrophenyl)methyl]-3-phenyl-purine-2,6-dione

Systemtic Name: 1-(cyclopropylmethyl)-7-[(4-nitrophenyl)methyl]-3-phenyl-purine-2,6-dione Openeye Name: 1-(cyclopropylmethyl)-7-[(4-nitrophenyl)methyl]-3-phenyl-purine-2,6-dione CAS Name: 1-(cyclopropylmethyl)-7-[(4-nitrophenyl)methyl]-3-phenylpurine-2,6-dione IUPAC Name: 1-(cyclopropylmethyl)-7-[(4-nitrophenyl)methyl]-3-phenylpurine-2,6-dione Traditional Name: 1-(cyclopropylmethyl)-7-(4-nitrobenzyl)-3-phenyl-xanthine Formula: C22H19N5O4 MolecularWeight: 417.41736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C(=O)C3=C(N=CN3CC4=CC=C(C=C4)[N+](=O)[O-])N(C2=O)C5=CC=CC=C5

Isomeric SMILES

C1CC1CN2C(=O)C3=C(N=CN3CC4=CC=C(C=C4)[N+](=O)[O-])N(C2=O)C5=CC=CC=C5

InChI

InChI=1S/C22H19N5O4/c28-21-19-20(23-14-24(19)12-15-8-10-18(11-9-15)27(30)31)26(17-4-2-1-3-5-17)22(29)25(21)13-16-6-7-16/h1-5,8-11,14,16H,6-7,12-13H2