3-(6-cyclohexylpurin-9-yl)-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-(6-cyclohexylpurin-9-yl)-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-(6-cyclohexylpurin-9-yl)-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-(6-cyclohexyl-9-purinyl)-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-(6-cyclohexylpurin-9-yl)-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-(6-cyclohexylpurin-9-yl)-N-cyclopropyl-4-methyl-benzamide Formula: C22H25N5O MolecularWeight: 375.4668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(N=CN=C43)C5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(N=CN=C43)C5CCCCC5

InChI

InChI=1S/C22H25N5O/c1-14-7-8-16(22(28)26-17-9-10-17)11-18(14)27-13-25-20-19(23-12-24-21(20)27)15-5-3-2-4-6-15/h7-8,11-13,15,17H,2-6,9-10H2,1H3,(H,26,28)