2-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-N-(3-pyridylmethyl)acetamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)NCC2=CN=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)NCC2=CN=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O2S/c1-14-17(10-15-6-3-2-4-7-15)19(26)24-20(23-14)27-13-18(25)22-12-16-8-5-9-21-11-16/h2-9,11H,10,12-13H2,1H3,(H,22,25)(H,23,24,26)