1-[2-methylsulfanyl-4-(pentan-3-ylamino)pyrimidin-5-yl]ethanone

Systemtic Name: 1-[2-methylsulfanyl-4-(pentan-3-ylamino)pyrimidin-5-yl]ethanone Openeye Name: 1-[4-(1-ethylpropylamino)-2-methylsulfanyl-pyrimidin-5-yl]ethanone CAS Name: 1-[2-(methylthio)-4-(pentan-3-ylamino)-5-pyrimidinyl]ethanone IUPAC Name: 1-[2-methylsulfanyl-4-(pentan-3-ylamino)pyrimidin-5-yl]ethanone Traditional Name: 1-[4-(1-ethylpropylamino)-2-(methylthio)pyrimidin-5-yl]ethanone Formula: C12H19N3OS MolecularWeight: 253.36376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=NC(=NC=C1C(=O)C)SC

Isomeric SMILES

CCC(CC)NC1=NC(=NC=C1C(=O)C)SC

InChI

InChI=1S/C12H19N3OS/c1-5-9(6-2)14-11-10(8(3)16)7-13-12(15-11)17-4/h7,9H,5-6H2,1-4H3,(H,13,14,15)