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

Systemtic Name: 1,3-dimethyl-8-nitro-9-[(4-propan-2-ylphenyl)methyl]purine-2,6-dione Openeye Name: 9-[(4-isopropylphenyl)methyl]-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 1,3-dimethyl-8-nitro-9-[(4-propan-2-ylphenyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-nitro-9-[(4-propan-2-ylphenyl)methyl]purine-2,6-dione Traditional Name: 9-(4-isopropylbenzyl)-1,3-dimethyl-8-nitro-xanthine Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O4/c1-10(2)12-7-5-11(6-8-12)9-21-14-13(18-16(21)22(25)26)15(23)20(4)17(24)19(14)3/h5-8,10H,9H2,1-4H3