N-(6-azanyl-2-butan-2-ylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-4-ethoxy-benzamide

Systemtic Name: N-(6-azanyl-2-butan-2-ylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-4-ethoxy-benzamide Openeye Name: N-(6-amino-4-oxo-2-sec-butylsulfanyl-1H-pyrimidin-5-yl)-4-ethoxy-benzamide CAS Name: N-[6-amino-2-(butan-2-ylthio)-4-oxo-1H-pyrimidin-5-yl]-4-ethoxybenzamide IUPAC Name: N-(6-amino-2-butan-2-ylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-4-ethoxybenzamide Traditional Name: N-[6-amino-4-keto-2-(sec-butylthio)-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)OCC

Isomeric SMILES

CCC(C)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C17H22N4O3S/c1-4-10(3)25-17-20-14(18)13(16(23)21-17)19-15(22)11-6-8-12(9-7-11)24-5-2/h6-10H,4-5H2,1-3H3,(H,19,22)(H3,18,20,21,23)