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

Systemtic Name: 2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]-6-(oxan-4-yl)-1H-pyrimidin-4-one Openeye Name: 2-[3-[[methyl(2-thienylmethyl)amino]methyl]phenyl]-6-tetrahydropyran-4-yl-1H-pyrimidin-4-one CAS Name: 2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]-6-(4-oxanyl)-1H-pyrimidin-4-one IUPAC Name: 2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]-6-(oxan-4-yl)-1H-pyrimidin-4-one Traditional Name: 2-[3-[[methyl(2-thenyl)amino]methyl]phenyl]-6-tetrahydropyran-4-yl-1H-pyrimidin-4-one Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC(=C1)C2=NC(=O)C=C(N2)C3CCOCC3)CC4=CC=CS4

Isomeric SMILES

CN(CC1=CC=CC(=C1)C2=NC(=O)C=C(N2)C3CCOCC3)CC4=CC=CS4

InChI

InChI=1S/C22H25N3O2S/c1-25(15-19-6-3-11-28-19)14-16-4-2-5-18(12-16)22-23-20(13-21(26)24-22)17-7-9-27-10-8-17/h2-6,11-13,17H,7-10,14-15H2,1H3,(H,23,24,26)