4-[(6-methyl-2-morpholin-4-yl-8-propyl-purin-9-yl)methyl]-3-pyridin-4-yl-benzenecarbonitrile

Systemtic Name: 4-[(6-methyl-2-morpholin-4-yl-8-propyl-purin-9-yl)methyl]-3-pyridin-4-yl-benzenecarbonitrile Openeye Name: 4-[(6-methyl-2-morpholino-8-propyl-purin-9-yl)methyl]-3-(4-pyridyl)benzonitrile CAS Name: 4-[[6-methyl-2-(4-morpholinyl)-8-propyl-9-purinyl]methyl]-3-pyridin-4-ylbenzonitrile IUPAC Name: 4-[(6-methyl-2-morpholin-4-yl-8-propylpurin-9-yl)methyl]-3-pyridin-4-ylbenzonitrile Traditional Name: 4-[(6-methyl-2-morpholino-8-propyl-purin-9-yl)methyl]-3-(4-pyridyl)benzonitrile Formula: C26H27N7O MolecularWeight: 453.53888

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N=C(N=C2N1CC3=C(C=C(C=C3)C#N)C4=CC=NC=C4)N5CCOCC5)C

Isomeric SMILES

CCCC1=NC2=C(N=C(N=C2N1CC3=C(C=C(C=C3)C#N)C4=CC=NC=C4)N5CCOCC5)C

InChI

InChI=1S/C26H27N7O/c1-3-4-23-30-24-18(2)29-26(32-11-13-34-14-12-32)31-25(24)33(23)17-21-6-5-19(16-27)15-22(21)20-7-9-28-10-8-20/h5-10,15H,3-4,11-14,17H2,1-2H3