7-(4-chlorophenyl)-2,4-dimethyl-6-propyl-5H-purino[7,8-a]imidazol-9-ium-1,3-dione

Systemtic Name: 7-(4-chlorophenyl)-2,4-dimethyl-6-propyl-5H-purino[7,8-a]imidazol-9-ium-1,3-dione Openeye Name: 7-(4-chlorophenyl)-2,4-dimethyl-6-propyl-5H-purino[7,8-a]imidazol-9-ium-1,3-dione CAS Name: 7-(4-chlorophenyl)-2,4-dimethyl-6-propyl-5H-purino[7,8-a]imidazol-9-ium-1,3-dione IUPAC Name: 7-(4-chlorophenyl)-2,4-dimethyl-6-propyl-5H-purino[7,8-a]imidazol-9-ium-1,3-dione Traditional Name: 7-(4-chlorophenyl)-2,4-dimethyl-6-propyl-5H-purin[7,8-a]imidazol-9-ium-1,3-quinone Formula: C18H19ClN5O2+ MolecularWeight: 372.82876

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C[N+]2=C1NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCN1C(=C[N+]2=C1NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H18ClN5O2/c1-4-9-23-13(11-5-7-12(19)8-6-11)10-24-14-15(20-17(23)24)21(2)18(26)22(3)16(14)25/h5-8,10H,4,9H2,1-3H3/p+1