2-[(6-imidazol-1-yl-2-methylsulfanyl-pyrimidin-4-yl)amino]-4-methyl-pentanal

Systemtic Name: 2-[(6-imidazol-1-yl-2-methylsulfanyl-pyrimidin-4-yl)amino]-4-methyl-pentanal Openeye Name: 2-[(6-imidazol-1-yl-2-methylsulfanyl-pyrimidin-4-yl)amino]-4-methyl-pentanal CAS Name: 2-[[6-(1-imidazolyl)-2-(methylthio)-4-pyrimidinyl]amino]-4-methylpentanal IUPAC Name: 2-[(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)amino]-4-methylpentanal Traditional Name: 2-[[6-imidazol-1-yl-2-(methylthio)pyrimidin-4-yl]amino]-4-methyl-valeraldehyde Formula: C14H19N5OS MolecularWeight: 305.39856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C=O)NC1=NC(=NC(=C1)N2C=CN=C2)SC

Isomeric SMILES

CC(C)CC(C=O)NC1=NC(=NC(=C1)N2C=CN=C2)SC

InChI

InChI=1S/C14H19N5OS/c1-10(2)6-11(8-20)16-12-7-13(18-14(17-12)21-3)19-5-4-15-9-19/h4-5,7-11H,6H2,1-3H3,(H,16,17,18)