3-(6,8-dimethyl-7H-purin-2-yl)-4-phenyl-3-pyridin-2-yl-butanal

Systemtic Name: 3-(6,8-dimethyl-7H-purin-2-yl)-4-phenyl-3-pyridin-2-yl-butanal Openeye Name: 3-(6,8-dimethyl-7H-purin-2-yl)-4-phenyl-3-(2-pyridyl)butanal CAS Name: 3-(6,8-dimethyl-7H-purin-2-yl)-4-phenyl-3-(2-pyridinyl)butanal IUPAC Name: 3-(6,8-dimethyl-7H-purin-2-yl)-4-phenyl-3-pyridin-2-ylbutanal Traditional Name: 3-(6,8-dimethyl-7H-purin-2-yl)-4-phenyl-3-(2-pyridyl)butyraldehyde Formula: C22H21N5O MolecularWeight: 371.43504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=N1)C(CC=O)(CC3=CC=CC=C3)C4=CC=CC=N4)N=C(N2)C

Isomeric SMILES

CC1=C2C(=NC(=N1)C(CC=O)(CC3=CC=CC=C3)C4=CC=CC=N4)N=C(N2)C

InChI

InChI=1S/C22H21N5O/c1-15-19-20(26-16(2)25-19)27-21(24-15)22(11-13-28,18-10-6-7-12-23-18)14-17-8-4-3-5-9-17/h3-10,12-13H,11,14H2,1-2H3,(H,24,25,26,27)