1-(2,2-dimethylpropyl)-2-(phenylmethylsulfanyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 1-(2,2-dimethylpropyl)-2-(phenylmethylsulfanyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-1-(2,2-dimethylpropyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 1-(2,2-dimethylpropyl)-2-(phenylmethylthio)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-1-(2,2-dimethylpropyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-(benzylthio)-1-neopentyl-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C=C(C(=O)N=C1SCC2=CC=CC=C2)CC3=CN=CN=C3

Isomeric SMILES

CC(C)(C)CN1C=C(C(=O)N=C1SCC2=CC=CC=C2)CC3=CN=CN=C3

InChI

InChI=1S/C21H24N4OS/c1-21(2,3)14-25-12-18(9-17-10-22-15-23-11-17)19(26)24-20(25)27-13-16-7-5-4-6-8-16/h4-8,10-12,15H,9,13-14H2,1-3H3