N-[6-azanyl-4-oxidanylidene-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1H-pyrimidin-5-yl]-4-ethoxy-benzamide

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Openeye Name: N-[6-amino-4-oxo-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-ethoxy-benzamide CAS Name: N-[6-amino-4-oxo-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-1H-pyrimidin-5-yl]-4-ethoxybenzamide IUPAC Name: N-[6-amino-4-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]-4-ethoxybenzamide Traditional Name: N-[6-amino-4-keto-2-[(2-keto-2-piperidino-ethyl)thio]-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)N3CCCCC3)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)N3CCCCC3)N

InChI

InChI=1S/C20H25N5O4S/c1-2-29-14-8-6-13(7-9-14)18(27)22-16-17(21)23-20(24-19(16)28)30-12-15(26)25-10-4-3-5-11-25/h6-9H,2-5,10-12H2,1H3,(H,22,27)(H3,21,23,24,28)