6-tert-butyl-2-[2-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-tert-butyl-2-[2-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-tert-butyl-2-[2-[[methyl(3-thienylmethyl)amino]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-tert-butyl-2-[2-[[methyl(3-thiophenylmethyl)amino]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-tert-butyl-2-[2-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-tert-butyl-2-[2-[[methyl(3-thenyl)amino]methyl]phenyl]-1H-pyrimidin-4-one Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N=C(N1)C2=CC=CC=C2CN(C)CC3=CSC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=O)N=C(N1)C2=CC=CC=C2CN(C)CC3=CSC=C3

InChI

InChI=1S/C21H25N3OS/c1-21(2,3)18-11-19(25)23-20(22-18)17-8-6-5-7-16(17)13-24(4)12-15-9-10-26-14-15/h5-11,14H,12-13H2,1-4H3,(H,22,23,25)