8-[cyclohexyl(methyl)amino]-1,3-dimethyl-7-phenacyl-purine-2,6-dione

Systemtic Name: 8-[cyclohexyl(methyl)amino]-1,3-dimethyl-7-phenacyl-purine-2,6-dione Openeye Name: 8-[cyclohexyl(methyl)amino]-1,3-dimethyl-7-phenacyl-purine-2,6-dione CAS Name: 8-[cyclohexyl(methyl)amino]-1,3-dimethyl-7-phenacylpurine-2,6-dione IUPAC Name: 8-[cyclohexyl(methyl)amino]-1,3-dimethyl-7-phenacylpurine-2,6-dione Traditional Name: 8-[cyclohexyl(methyl)amino]-1,3-dimethyl-7-phenacyl-xanthine Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)C3CCCCC3)CC(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)C3CCCCC3)CC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5O3/c1-24(16-12-8-5-9-13-16)21-23-19-18(20(29)26(3)22(30)25(19)2)27(21)14-17(28)15-10-6-4-7-11-15/h4,6-7,10-11,16H,5,8-9,12-14H2,1-3H3