9-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 9-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 9-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 9-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 9-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-8-nitropurine-2,6-dione Traditional Name: 9-(4-tert-butylbenzyl)-1,3-dimethyl-8-nitro-xanthine Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4/c1-18(2,3)12-8-6-11(7-9-12)10-22-14-13(19-16(22)23(26)27)15(24)21(5)17(25)20(14)4/h6-9H,10H2,1-5H3