1-[1-[9-(2,4-dimethylphenyl)-8-methyl-purin-6-yl]-2-methyl-indol-3-yl]propan-1-one

Systemtic Name: 1-[1-[9-(2,4-dimethylphenyl)-8-methyl-purin-6-yl]-2-methyl-indol-3-yl]propan-1-one Openeye Name: 1-[1-[9-(2,4-dimethylphenyl)-8-methyl-purin-6-yl]-2-methyl-indol-3-yl]propan-1-one CAS Name: 1-[1-[9-(2,4-dimethylphenyl)-8-methyl-6-purinyl]-2-methyl-3-indolyl]-1-propanone IUPAC Name: 1-[1-[9-(2,4-dimethylphenyl)-8-methylpurin-6-yl]-2-methylindol-3-yl]propan-1-one Traditional Name: 1-[1-[9-(2,4-dimethylphenyl)-8-methyl-purin-6-yl]-2-methyl-indol-3-yl]propan-1-one Formula: C26H25N5O MolecularWeight: 423.5096

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(N(C2=CC=CC=C21)C3=NC=NC4=C3N=C(N4C5=C(C=C(C=C5)C)C)C)C

Isomeric SMILES

CCC(=O)C1=C(N(C2=CC=CC=C21)C3=NC=NC4=C3N=C(N4C5=C(C=C(C=C5)C)C)C)C

InChI

InChI=1S/C26H25N5O/c1-6-22(32)23-17(4)30(21-10-8-7-9-19(21)23)25-24-26(28-14-27-25)31(18(5)29-24)20-12-11-15(2)13-16(20)3/h7-14H,6H2,1-5H3