1-cyclohexyl-3-(3-methylphenyl)-7H-purine-2,6-dione

Systemtic Name: 1-cyclohexyl-3-(3-methylphenyl)-7H-purine-2,6-dione Openeye Name: 1-cyclohexyl-3-(m-tolyl)-7H-purine-2,6-dione CAS Name: 1-cyclohexyl-3-(3-methylphenyl)-7H-purine-2,6-dione IUPAC Name: 1-cyclohexyl-3-(3-methylphenyl)-7H-purine-2,6-dione Traditional Name: 1-cyclohexyl-3-(m-tolyl)-7H-purine-2,6-quinone Formula: C18H20N4O2 MolecularWeight: 324.377

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(C(=O)N(C2=O)C4CCCCC4)NC=N3

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(C(=O)N(C2=O)C4CCCCC4)NC=N3

InChI

InChI=1S/C18H20N4O2/c1-12-6-5-9-14(10-12)21-16-15(19-11-20-16)17(23)22(18(21)24)13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,19,20)