8-chloranyl-1,3-dimethyl-7-[(2-methyl-3-nitro-phenyl)methyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[(2-methyl-3-nitro-phenyl)methyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[(2-methyl-3-nitro-phenyl)methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[(2-methyl-3-nitrophenyl)methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[(2-methyl-3-nitrophenyl)methyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-(2-methyl-3-nitro-benzyl)xanthine Formula: C15H14ClN5O4 MolecularWeight: 363.75576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C15H14ClN5O4/c1-8-9(5-4-6-10(8)21(24)25)7-20-11-12(17-14(20)16)18(2)15(23)19(3)13(11)22/h4-6H,7H2,1-3H3